| CAS Number | 610274-04-9 |
| Catalog Number | AG00VSVS(AGN-PC-0LGFMM) |
| Chemical Name | 4-Chloro-6-methyl-5-phenylthieno[2,3-d]pyrimidine |
| IUPAC Name | 4-chloro-6-methyl-5-phenylthieno[2,3-d]pyrimidine |
| InChI | InChI=1S/C13H9ClN2S/c1-8-10(9-5-3-2-4-6-9)11-12(14)15-7-16-13(11)17-8/h2-7H,1H3 |
| InChI Key | ZDKXQLKPTBRODA-UHFFFAOYSA-N |
| MDL Number | MFCD06253955 |
| Molecular Formula | C13H9ClN2S |
| Molecular Weight | 260.7420 |
| SMILES | CC1=C(C2=CC=CC=C2)C2=C(N=CN=C2Cl)S1 |
| Synonyms | 4-chloro-6-methyl-5-phenylthieno[2,3-d]pyrimidine,
610274-04-9,
AC1NHC8Q,
SCHEMBL2368680,
ZINC8536166,
AKOS000805717,
MCULE-6830130014,
VU0549368-1,
L-4554,
F9995-0419,
CID4737833,
2-chloro-8-methyl-9-phenyl-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraene,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.739g/mol |
| Monoisotopic Mass | 260.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number