| SpectraBase Spectrum ID |
JHbT0lqcz5c |
| Name |
2-(Methylthio)phenylisothiocyanate |
| CAS Registry Number |
51333-75-6 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
181.001991577 u |
| Formula |
C8H7NS2 |
| InChI |
InChI=1S/C8H7NS2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3 |
| InChIKey |
SIODOISHDGRELW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
181.271 g/mol |
| Nominal Mass |
181 u |
| Quality |
910 |
| Retention Index |
1292 |
| SMILES |
C1(=C(C=CC=C1)SC)N=C=S |
| SPLASH |
splash10-001j-3900000000-d8ab9ad3b82eb061a1d4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(Methylmercapto)benzothiazole
1-Isothiocyanato-2-methylsulfanyl-benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004678 |
