| SpectraBase Spectrum ID |
8HvQW3iFCzY |
| Name |
Ethionamide |
| CAS Registry Number |
536-33-4 |
| Classification |
Pharmaceutical drug, tuberculostatic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
166.056469504 u |
| Formula |
C8H10N2S |
| InChI |
InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11) |
| InChIKey |
AEOCXXJPGCBFJA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
166.242 g/mol |
| Nominal Mass |
166 u |
| Quality |
966 |
| Retention Index |
1756 |
| SMILES |
NC(C1=CC(=NC=C1)CC)=S |
| SPLASH |
splash10-014i-2900000000-5e78a5ae351fe005b7b1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Diethion
2-Ethylpyridine-4-carbothioamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001345 |
