| CAS Number | 554439-97-3 |
| Catalog Number | AG019IQ3 |
| Chemical Name | ethyl 4-chloro-2-(chloromethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate |
| IUPAC Name | ethyl 4-chloro-2-(chloromethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate |
| InChI | InChI=1S/C11H10Cl2N2O2S/c1-3-17-11(16)8-5(2)7-9(13)14-6(4-12)15-10(7)18-8/h3-4H2,1-2H3 |
| InChI Key | HEOJTPYNBOSOJO-UHFFFAOYSA-N |
| MDL Number | MFCD03988746 |
| Molecular Formula | C11H10Cl2N2O2S |
| Molecular Weight | 305.1803 |
| SMILES | CCOC(C1=C(C)C2=C(N=C(N=C2Cl)CCl)S1)=O |
| Synonyms | ethyl 4-chloro-2-(chloromethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate,
554439-97-3,
AC1Q32BF,
AC1M748G,
CTK6F8086,
ZINC3319619,
AKOS000122455,
MCULE-1486785007,
NE25171,
EN300-07415,
ZINC03319619,
CID2435347,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.173g/mol |
| Monoisotopic Mass | 303.984g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number