| CAS Number | 733030-80-3 |
| Catalog Number | AG019IV7 |
| Chemical Name | ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate |
| IUPAC Name | ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate |
| InChI | InChI=1S/C12H13ClN2O3S/c1-4-18-12(17)8-5(2)7-10(16)14-9(6(3)13)15-11(7)19-8/h6H,4H2,1-3H3,(H,14,15,16) |
| InChI Key | CDMCPVASTXPGJI-UHFFFAOYSA-N |
| MDL Number | MFCD04635861 |
| Molecular Formula | C12H13ClN2O3S |
| Molecular Weight | 300.7612 |
| SMILES | CCOC(C1=C(C)C2=C(N=C(C(Cl)C)NC2=O)S1)=O |
| Synonyms | ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate,
733030-80-3,
ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate,
AC1MZ1PP,
AC1Q32BV,
CTK6F8065,
AKOS022289850,
MCULE-1234698724,
NE38976,
EN300-07814,
SR-01000049286,
SR-01000049286-1,
ethyl 2-(1-chloroethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate,
ZINC03336007,
CID3865645,
|
| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.757g/mol |
| Monoisotopic Mass | 300.034g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number