| SpectraBase Spectrum ID |
1EP1xRlnXA9 |
| Name |
Propylthiouracil |
| CAS Registry Number |
51-52-5 |
| Classification |
Thyroid inhibitor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
170.051384123 u |
| Formula |
C7H10N2OS |
| InChI |
InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11) |
| InChIKey |
KNAHARQHSZJURB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
170.230 g/mol |
| Nominal Mass |
170 u |
| Quality |
990 |
| Retention Index |
2155 |
| SMILES |
C1(NC(=CC(N1)=O)CCC)=S |
| SPLASH |
splash10-00dl-7900000000-e52cd65d3476aeede02d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Propil-tiouracile
Propyltiouracil
Propyltiourasil
6-Propyl-2-sulfanyl-1H-pyrimidin-4-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003781 |
