Details
Stereochemistry | ACHIRAL |
Molecular Formula | C7H5NS2 |
Molecular Weight | 167.251 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
SC1=NC2=CC=CC=C2S1
InChI
InChIKey=YXIWHUQXZSMYRE-UHFFFAOYSA-N
InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
Molecular Formula | C7H5NS2 |
Molecular Weight | 167.251 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://www.cdc.gov/niosh/docs/2014-142/pdfs/2014-142.pdf | https://hazmap.nlm.nih.gov/category-details?table=copytblagents&id=7051 | http://www.emeraldmaterials.com/cms/polyadd/fis_ftp.downloadMSDS?p_filename=NAMBT_GOOD-RITE_%20SODIUM%20MBT%20Corrosion%20Inhibitor_GHS%20Internatl_English_POLADD.pdfhttps://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=6bead357-f409-47aa-8cdd-d8676b7a5960Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/19158128
https://www.ncbi.nlm.nih.gov/pubmed/12732904
Sources: https://www.cdc.gov/niosh/docs/2014-142/pdfs/2014-142.pdf | https://hazmap.nlm.nih.gov/category-details?table=copytblagents&id=7051 | http://www.emeraldmaterials.com/cms/polyadd/fis_ftp.downloadMSDS?p_filename=NAMBT_GOOD-RITE_%20SODIUM%20MBT%20Corrosion%20Inhibitor_GHS%20Internatl_English_POLADD.pdfhttps://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=6bead357-f409-47aa-8cdd-d8676b7a5960
Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/19158128
https://www.ncbi.nlm.nih.gov/pubmed/12732904
2-Mercaptobenzothiazole (MBT) can be a human carcinogen. It causes allergic contact dermatitis. For external animal use only: for Dogs, Cats and Horses it’s used to afford relief to certain common skin problems sometimes referred to as summer eczema, kennel itch, or hot spots (moist dermatitis). These conditions are characterized by intense itching and scratching, followed by rough scaly skin, and hair loss. Skin Balm relieves itching, softens the skin and helps return your animals' coat and skin to a healthy state.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
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Target ID: P14650 Gene ID: NA Gene Symbol: Tpo Target Organism: Rattus norvegicus (Rat) |
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Target ID: CHEMBL3102 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
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Palliative | Unknown Approved UseUnknown |
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Palliative | Unknown Approved UseUnknown |
PubMed
Title | Date | PubMed |
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Contact dermatitis in students practicing sports: incidence of rubber sensitisation. | 2001 Apr |
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Optimization of the simultaneous batch determinations of Bi(III), Hg(II) and Cu(II) at an epoxy-graphite electrode bulk modified with 2-mercaptobenzothiazole. | 2001 Dec |
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Modified short-term guinea pig sensitization tests for detecting contact allergens as an alternative to the conventional test. | 2001 Mar |
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Nitrate/nitrite reductase activity of sulfido/selenido bridged dinuclear ruthenium(III) complexes. | 2001 Sep |
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Diagnostic screening for contact allergy to mercaptobenzothiazole derivatives. | 2002 Jun |
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Indirect extraction-spectrophotometric determination of 2-(thiocyanomethylthiol)benzothiazole in chrome tanning liquors after its breakdown to 2-mercaptobenzothiazole. | 2002 Mar 4 |
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Synthesis, structural characterization and in vitro cytotoxicity of organotin(IV) derivatives of heterocyclic thioamides, 2-mercaptobenzothiazole, 5-chloro-2-mercaptobenzothiazole, 3-methyl-2-mercaptobenzothiazole and 2-mercaptonicotinic acid. | 2003 Aug 1 |
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Development and application of an LC-MS method to determine possible migration of mercaptobenzothiazole, benzothiazole and related vulcanization residues from rubber used in contact with food and drink. | 2003 Feb |
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Common shoe allergens undetected by commercial patch-testing kits: dithiodimorpholine and isocyanates. | 2003 Jun |
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Occupational allergic contact dermatitis from xanthates and carbamates in mining processes. | 2003 Sep |
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The role of HB-donor groups in the heterocyclic polar fragment of H3-antagonists. I. Synthesis and biological assays. | 2003 Sep |
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Migration of N-nitrosamines, N-nitrosatable substances and 2-mercaptobenzthiazol from baby bottle teats and soothers: a Dutch retail survey. | 2003 Sep |
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Occurrence of benzothiazoles in municipal wastewater and their fate in biological treatment. | 2004 |
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Homolytic cleavage and aggregation processes in cyclopentadienylchromium chemistry. | 2004 Mar |
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[Contact dermatitis from polyacrylate in TENS electrode]. | 2004 May |
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Metabolism of 2-mercaptobenzothiazole by Rhodococcus rhodochrous. | 2004 Oct |
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Human health risk assessment of 2-mercaptobenzothiazole in drinking water. | 2004 Sep |
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In vitro induction of polyploidy and chromatid exchanges by culture medium extracts of natural rubbers compounded with 2-mercaptobenzothiazole as a positive control candidate for genotoxicity tests. | 2005 Nov 1 |
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Rubber additives induce oxidative stress in rainbow trout. | 2005 Oct 15 |
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Pressure-tuning Raman spectra of diiodine thioamide compounds: models for antithyroid drug activity. | 2006 |
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Interaction of thioamides, selenoamides, and amides with diiodine. | 2006 |
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Reactions Between Chalcogen Donors and Dihalogens/Interalogens: Typology of Products and Their Characterization by FT-Raman Spectroscopy. | 2006 |
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MIP-1beta, a novel biomarker for in vitro sensitization test using human monocytic cell line. | 2006 Aug |
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Bikini dermatitis due to mercaptobenzothiazole. | 2006 Jun |
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Both mercaptobenzothiazole and mercapto mix should be part of the standard series. | 2006 Nov |
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Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | 2006 Nov |
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Respective contributions of polar vs enthalpy effects in the addition/fragmentation of mercaptobenzoxazole-derived thiyl radicals and analogues to double bonds. | 2006 Oct 19 |
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Comparison of the adsorption orientation for 2-mercaptobenzothiazole and 2-mercaptobenzoxazole by SERS spectroscopy. | 2007 Dec 31 |
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Chemical changes in rubber allergens during vulcanization. | 2007 Sep |
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Patch testing experience with 1000 patients. | 2007 Sep-Oct |
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Mercaptobenzothiazole allergenicity-role of the thiol group. | 2008 |
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Crystal structure and antitumor activity of the novel zwitterionic complex of tri-n-butyltin(IV) with 2-thiobarbituric acid. | 2008 |
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A combined patch-clamp and electrorotation study of the voltage- and frequency-dependent membrane capacitance caused by structurally dissimilar lipophilic anions. | 2008 Jan |
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Positive patch-test reactions to mixed dialkyl thioureas: cross-sectional data from the North American Contact Dermatitis Group, 1994 to 2004. | 2008 Jul-Aug |
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Photodegradation of 2-mercaptobenzothiazole in the gamma-Fe(2)O(3)/oxalate suspension under UVA light irradiation. | 2008 May 1 |
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North American Contact Dermatitis Group patch-test results, 2003-2004 study period. | 2008 May-Jun |
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Bladder cancer risks in workers manufacturing chemicals for the rubber industry. | 2008 Oct |
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A polynuclear d10-d10 metal complex with unusual near-infrared luminescence and high thermal stability. | 2009 Apr 6 |
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Evaluating the toxic potential of benzothiazoles with the rainbow trout cell lines, RTgill-W1 and RTL-W1. | 2016 Jul |
Patents
Sample Use Guides
Rabbits: the dermal
LD50 value (the dose resulting in 50% mortality
in the exposed animals) for the rabbit has
been reported to be greater than 5010 mg/kg
Rats: Oral LD50: 2100 mg/kg
Route of Administration:
Other
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:02:57 GMT 2023
by
admin
on
Fri Dec 15 15:02:57 GMT 2023
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Record UNII |
5RLR54Z22K
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Record Status |
Validated (UNII)
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Record Version |
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Classification Tree | Code System | Code | ||
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EPA PESTICIDE CODE |
51701
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NDF-RT |
N0000185508
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CFR |
21 CFR 524.1376
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Code System | Code | Type | Description | ||
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DB11496
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m7205
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PRIMARY | Merck Index | ||
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1358845
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C45678
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CONCEPT | Industrial Aid | ||
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4025
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697993
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2041
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21 CFR 176.300
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34292
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5RLR54Z22K
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100000076525
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N0000175629
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PRIMARY | Increased Histamine Release [PE] | ||
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DTXSID1020807
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Mercaptobenzothiazole
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C005563
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205-736-8
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C83512
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149-30-4
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N0000184306
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PRIMARY | Cell-mediated Immunity [PE] | ||
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SUB14518MIG
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5RLR54Z22K
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N0000171131
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PRIMARY | Allergens [Chemical/Ingredient] |
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SALT/SOLVATE -> PARENT |
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SALT/SOLVATE -> PARENT |
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ACTIVE MOIETY |