| CAS Number | 920510-14-1 |
| Catalog Number | AG019YA7(AGN-PC-05FJJQ) |
| Chemical Name | 2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)ethanethioamide |
| IUPAC Name | 2-(2,4-dioxopyrimidin-1-yl)ethanethioamide |
| InChI | InChI=1S/C6H7N3O2S/c7-4(12)3-9-2-1-5(10)8-6(9)11/h1-2H,3H2,(H2,7,12)(H,8,10,11) |
| InChI Key | TXXXQEPMYGGPHA-UHFFFAOYSA-N |
| MDL Number | MFCD11190210 |
| Molecular Formula | C6H7N3O2S |
| Molecular Weight | 185.2037 |
| SMILES | NC(CN1C(=O)NC(=O)C=C1)=S |
| Synonyms | 2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)ethanethioamide,
920510-14-1,
ZINC20434701,
AKOS009252074,
MCULE-2164622073,
NE27044,
Z1344989987,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.201g/mol |
| Monoisotopic Mass | 185.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
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Certificate of Analysis
Lot Number