2-Methyl-S-benzothiazole

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Systematic / IUPAC Name: 2-Methylsulfanyl-1,3-benzothiazole

ID: Reference3049

Other Names: 2-(Methylmercapto)benzothiazole;
2-(Methylsulfanyl)-1,3-benzothiazole;
2-(Methylthio)-1,3-benzothiazole;
2-(Methylthio)benzo[d]thiazole;
2-(Methylthio)benzothiazole ; more

Formula: C8H7NS2

Class: Pesticides/Herbicides Extractables/Leachables Textile Chemicals/Auxiliary/Dyes Endogenous Metabolites

Spectral Data

2-Methyl-S-benzothiazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 67
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/28/2015 12:25:03 PM
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Identificators

InChI InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
InChI Key UTBVIMLZIRIFFR-UHFFFAOYSA-N
Canonical SMILES CSC1=NC2=CC=CC=C2S1
CAS 615225
Splash
Other Names 2-(Methylmercapto)benzothiazole;
2-(Methylsulfanyl)-1,3-benzothiazole;
2-(Methylthio)-1,3-benzothiazole;
2-(Methylthio)benzo[d]thiazole;
2-(Methylthio)benzothiazole;
2-(Methylthio)benzothiozole;
2-Methyl mercaptobenzothiazole;
2-Methylthio benzothiazole;
Benzothiazole, 2-(methylthio)-;
Benzothiazole, mercapto-2-methyl-;
Benzothiazole,(methylthio)-;
Benzothiazolethiol, 2-methyl-

In Other Databases

KEGG C10910
Wikipedia 2-Methylthiobenzthiazol
ChemSpider 11494
ChEBI CHEBI:1217
ChemIDPlus 000615225; 064036437; 031621019
PubChem 11989