For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzothiazole, 2-(methylthio)-
SpectraBase Compound ID 9FyVKO7cg2H
InChI InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
InChIKey UTBVIMLZIRIFFR-UHFFFAOYSA-N
Mol Weight 181.27 g/mol
Molecular Formula C8H7NS2
Exact Mass 181.001992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5YETSmRS0B6
Name 2-Methylthiobenzothiazole
CAS Registry Number 615-22-5
Classification Food flavor
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 181.001991577 u
Formula C8H7NS2
InChI InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
InChIKey UTBVIMLZIRIFFR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 181.271 g/mol
Nominal Mass 181 u
Quality 901
Retention Index 1333
SMILES C=12C(SC(=N2)SC)=CC=CC1
SPLASH splash10-001j-3900000000-4df2fe0fd5b921c62aaa
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-methylthio-1,3-benzothiazole
Technique GC/MS
Wiley ID DD2024_002417