| SpectraBase Spectrum ID |
8I1IYvSep1M |
| Name |
Prothionamide |
| CAS Registry Number |
14222-60-7 |
| Classification |
Pharmaceutical drug, tuberculostatic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
180.072119568 u |
| Formula |
C9H12N2S |
| InChI |
InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12) |
| InChIKey |
VRDIULHPQTYCLN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
180.269 g/mol |
| Nominal Mass |
180 u |
| Quality |
984 |
| Retention Index |
1816 |
| SMILES |
NC(C1=CC(=NC=C1)CCC)=S |
| SPLASH |
splash10-0wmi-5900000000-13e5bbd9e94def7b827e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Protionamid
2-Propylpyridine-4-carbothioamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009968 |
