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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4ClNS2
Molecular Weight 201.696
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-CHLORO-2-MERCAPTOBENZOTHIAZOLE

SMILES

SC1=NC2=C(S1)C=CC(Cl)=C2

InChI

InChIKey=NKYDKCVZNMNZCM-UHFFFAOYSA-N
InChI=1S/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C7H4ClNS2
Molecular Weight 201.696
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Exploring the limits of bacterial identification by intact cell-mass spectrometry.
2001 Jan
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
Identification of archaea and some extremophilic bacteria using matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry.
2004 Aug
Interaction of thioamides, selenoamides, and amides with diiodine.
2006
Reactions Between Chalcogen Donors and Dihalogens/Interalogens: Typology of Products and Their Characterization by FT-Raman Spectroscopy.
2006
Bioinorganic chemistry in thyroid gland: effect of antithyroid drugs on peroxidase-catalyzed oxidation and iodination reactions.
2006
The nature of the chemical bond in linear three-body systems: from i3- to mixed chalcogen/halogen and trichalcogen moieties.
2007
Synthesis, structural characterization, and biological studies of six- and five-coordinate organotin(IV) complexes with the thioamides 2-mercaptobenzothiazole, 5-chloro-2-mercaptobenzothiazole, and 2-mercaptobenzoxazole.
2007 Feb 19
Crystal structure and antitumor activity of the novel zwitterionic complex of tri-n-butyltin(IV) with 2-thiobarbituric acid.
2008
Biological studies of new organotin(IV) complexes of thioamide ligands.
2008 Feb
A Francisella mutant in lipid A carbohydrate modification elicits protective immunity.
2008 Feb 8
Synthesis, characterization, and biological studies of organotin(IV) derivatives with o- or p-hydroxybenzoic acids.
2009
Synthesis, structural characterization and in vitro cytotoxicity of new Au(III) and Au(I) complexes with thioamides.
2009 Dec 21
Alternative procedures for analysis of lipid A modification with phosphoethanolamine or aminoarabinose.
2009 Mar
Structural properties, cytotoxicity, and anti-inflammatory activity of silver(I) complexes with tris(p-tolyl)phosphine and 5-chloro-2-mercaptobenzothiazole.
2010
In Vitro, Ex Vivo, and In Vivo Determination of Thyroid Hormone Modulating Activity of Benzothiazoles.
2015 Aug
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:54:54 GMT 2023
Edited
by admin
on Sat Dec 16 10:54:54 GMT 2023
Record UNII
R9099U429R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-CHLORO-2-MERCAPTOBENZOTHIAZOLE
Systematic Name English
5-CHLORO-2-BENZOTHIAZOLETHIOL
Systematic Name English
SH-BENZOTHIAZOLE
Systematic Name English
5-CHLOROBENZOTHIAZOLINE-2-THIONE
Systematic Name English
NSC-3934
Code English
2(3H)-BENZOTHIAZOLETHIONE, 5-CHLORO-
Systematic Name English
2-MERCAPTO-5-CHLOROBENZOTHIAZOLE
Systematic Name English
5-CHLORO-2(3H)-BENZOTHIAZOLETHIONE
Systematic Name English
5-CHLORO-1,3-BENZOTHIAZOLE-2-THIOL
Systematic Name English
2-BENZOTHIAZOLETHIOL, 5-CHLORO-
Systematic Name English
Code System Code Type Description
NSC
3934
Created by admin on Sat Dec 16 10:54:54 GMT 2023 , Edited by admin on Sat Dec 16 10:54:54 GMT 2023
PRIMARY
FDA UNII
R9099U429R
Created by admin on Sat Dec 16 10:54:54 GMT 2023 , Edited by admin on Sat Dec 16 10:54:54 GMT 2023
PRIMARY
PUBCHEM
2723842
Created by admin on Sat Dec 16 10:54:54 GMT 2023 , Edited by admin on Sat Dec 16 10:54:54 GMT 2023
PRIMARY
CAS
5331-91-9
Created by admin on Sat Dec 16 10:54:54 GMT 2023 , Edited by admin on Sat Dec 16 10:54:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-235-0
Created by admin on Sat Dec 16 10:54:54 GMT 2023 , Edited by admin on Sat Dec 16 10:54:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID0022224
Created by admin on Sat Dec 16 10:54:54 GMT 2023 , Edited by admin on Sat Dec 16 10:54:54 GMT 2023
PRIMARY