| CAS Number | 926254-25-3 |
| Catalog Number | AG019UYP |
| Chemical Name | 3-[2-(dimethylamino)ethyl]-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one |
| IUPAC Name | 3-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one |
| InChI | InChI=1S/C10H13N3OS2/c1-12(2)4-5-13-9(14)8-7(3-6-16-8)11-10(13)15/h3,6H,4-5H2,1-2H3,(H,11,15) |
| InChI Key | PIFSYBNBNGDCBU-UHFFFAOYSA-N |
| MDL Number | MFCD09041604 |
| Molecular Formula | C10H13N3OS2 |
| Molecular Weight | 255.3597 |
| SMILES | CN(CCN1C(=O)C2=C(C=CS2)N=C1S)C |
| Synonyms | 3-[2-(dimethylamino)ethyl]-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one,
926254-25-3,
AC1Q3WSO,
CTK6I0829,
AKOS000123614,
ZINC100090816,
MCULE-9966812822,
NE19349,
EN300-43230,
Z55666311,
3-[2-(dimethylamino)ethyl]-2-sulfanylthieno[3,2-d]pyrimidin-4(3H)-one,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.354g/mol |
| Monoisotopic Mass | 255.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number