| SpectraBase Spectrum ID |
t06tFe0DfC |
| Name |
Thioguanin |
| CAS Registry Number |
154-42-7 |
| Classification |
Pharmaceutical drug, cytostatic |
| 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 |
167.026566355 u |
| Formula |
C5H5N5S |
| InChI |
InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) |
| InChIKey |
WYWHKKSPHMUBEB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
167.190 g/mol |
| Nominal Mass |
167 u |
| Quality |
839 |
| SMILES |
NC=1NC(C2=C(N1)N=CN2)=S |
| SPLASH |
splash10-014i-2900000000-6981485d16f6d12d5299 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Amino-6-purinthiole |
| Technique |
DI/MS |
| Wiley ID |
DD2024_004027 |
