SpectraBase Spectrum ID |
8HIekWPI31s |
Name |
2-Methylthiobenzothiazole |
CAS Registry Number |
615-22-5 |
Classification |
Food flavor |
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 |
978 |
Retention Index |
1333 |
SMILES |
C=12C(SC(=N2)SC)=CC=CC1 |
SPLASH |
splash10-001j-8900000000-d6fce8bfa02aafcb8024 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2-methylthio-1,3-benzothiazole |
Technique |
GC/MS |
Wiley ID |
DD2024_033624 |