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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NS2
Molecular Weight 181.278
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(METHYLTHIO)BENZOTHIAZOLE

SMILES

CSC1=NC2=CC=CC=C2S1

InChI

InChIKey=UTBVIMLZIRIFFR-UHFFFAOYSA-N
InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C8H7NS2
Molecular Weight 181.278
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Widespread occurrence of bacterial thiol methyltransferases and the biogenic emission of methylated sulfur gases.
1987 Jul
Determination of benzothiazoles from complex aqueous samples by liquid chromatography-mass spectrometry following solid-phase extraction.
2004 Nov 26
Comparative aquatic toxicity evaluation of 2-(thiocyanomethylthio)benzothiazole and selected degradation products using Ceriodaphnia dubia.
2005 Apr
Evaluation of the treatment efficiencies of paper mill whitewaters in terms of organic composition and toxicity.
2007 Jun
Occurrence and fate of benzothiazoles and benzotriazoles in constructed wetlands.
2010
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:01:44 GMT 2023
Edited
by admin
on Fri Dec 15 18:01:44 GMT 2023
Record UNII
2748L341KY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(METHYLTHIO)BENZOTHIAZOLE
Systematic Name English
NSC-5352
Code English
(METHYLTHIO)BENZOTHIAZOLE
Systematic Name English
METHYLCAPTAX
Common Name English
NSC-41046
Code English
Code System Code Type Description
CHEBI
1217
Created by admin on Fri Dec 15 18:01:44 GMT 2023 , Edited by admin on Fri Dec 15 18:01:44 GMT 2023
PRIMARY
NSC
5352
Created by admin on Fri Dec 15 18:01:44 GMT 2023 , Edited by admin on Fri Dec 15 18:01:44 GMT 2023
PRIMARY
NSC
41046
Created by admin on Fri Dec 15 18:01:44 GMT 2023 , Edited by admin on Fri Dec 15 18:01:44 GMT 2023
PRIMARY
MESH
C008502
Created by admin on Fri Dec 15 18:01:44 GMT 2023 , Edited by admin on Fri Dec 15 18:01:44 GMT 2023
PRIMARY
CAS
615-22-5
Created by admin on Fri Dec 15 18:01:44 GMT 2023 , Edited by admin on Fri Dec 15 18:01:44 GMT 2023
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FDA UNII
2748L341KY
Created by admin on Fri Dec 15 18:01:44 GMT 2023 , Edited by admin on Fri Dec 15 18:01:44 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-417-1
Created by admin on Fri Dec 15 18:01:44 GMT 2023 , Edited by admin on Fri Dec 15 18:01:44 GMT 2023
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EPA CompTox
DTXSID70274236
Created by admin on Fri Dec 15 18:01:44 GMT 2023 , Edited by admin on Fri Dec 15 18:01:44 GMT 2023
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PUBCHEM
11989
Created by admin on Fri Dec 15 18:01:44 GMT 2023 , Edited by admin on Fri Dec 15 18:01:44 GMT 2023
PRIMARY