| CAS Number | 941083-97-2 |
| Catalog Number | AG019KOO |
| Chemical Name | 1-{trimethylthieno[2,3-d]pyrimidin-6-yl}ethan-1-one |
| IUPAC Name | 1-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)ethanone |
| InChI | InChI=1S/C11H12N2OS/c1-5-9-6(2)12-8(4)13-11(9)15-10(5)7(3)14/h1-4H3 |
| InChI Key | AQPQSRMXIKTHIB-UHFFFAOYSA-N |
| MDL Number | MFCD09396739 |
| Molecular Formula | C11H12N2OS |
| Molecular Weight | 220.2908 |
| SMILES | CC(C1=C(C)C2=C(N=C(N=C2C)C)S1)=O |
| Synonyms | 1-{trimethylthieno[2,3-d]pyrimidin-6-yl}ethan-1-one,
941083-97-2,
1-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)ethanone,
1-{2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl}ethan-1-one,
AC1Q1JCA,
CTK6C3995,
ZINC12505650,
AKOS033871257,
MCULE-1963981137,
NE24725,
EN300-27801,
Z235347057,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.29g/mol |
| Monoisotopic Mass | 220.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number