| CAS Number | 872319-75-0 |
| Catalog Number | AG019IQA |
| Chemical Name | methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate |
| IUPAC Name | methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate |
| InChI | InChI=1S/C10H9ClN2O2S/c1-4-6-8(11)12-5(2)13-9(6)16-7(4)10(14)15-3/h1-3H3 |
| InChI Key | ZKRIVQOOENDMQL-UHFFFAOYSA-N |
| MDL Number | MFCD16040157 |
| Molecular Formula | C10H9ClN2O2S |
| Molecular Weight | 256.7087 |
| SMILES | COC(C1=C(C)C2=C(N=C(N=C2Cl)C)S1)=O |
| Synonyms | methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate,
872319-75-0,
AC1MW9P9,
AC1Q41XO,
SCHEMBL20504202,
CTK6J1508,
ZINC3886953,
SBB078098,
AKOS000122457,
MCULE-1027944015,
NE62374,
EN300-07423,
methyl 4-chloro-2,5-dimethylthiopheno[2,3-d]pyrimidine-6-carboxylate,
ZINC03886953,
CID3720661,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.704g/mol |
| Monoisotopic Mass | 256.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number