| CAS Number | 869709-83-1 |
| Catalog Number | AG00IEAC |
| Chemical Name | 4-Chloro-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidine |
| IUPAC Name | 4-chloro-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidine |
| InChI | InChI=1S/C13H9ClN2OS/c1-17-9-4-2-8(3-5-9)11-6-10-12(18-11)13(14)16-7-15-10/h2-7H,1H3 |
| InChI Key | CDCQRLZNZDBDIV-UHFFFAOYSA-N |
| MDL Number | MFCD04973911 |
| Molecular Formula | C13H9ClN2OS |
| Molecular Weight | 276.7414 |
| SMILES | COC1=CC=C(C2SC3=C(N=CN=C3Cl)C=2)C=C1 |
| Synonyms | 4-chloro-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidine,
869709-83-1,
AC1MBWDC,
MLS001176708,
AC1Q4A85,
CHEMBL1556925,
SCHEMBL15703517,
CTK7A2971,
ZINC2541394,
MFCD04973911,
SBB078248,
AKOS001137595,
MCULE-5975215123,
NE56945,
SMR000592387,
EN300-14552,
1-(4-chlorothiopheno[4,5-d]pyrimidin-6-yl)-4-methoxybenzene,
ZINC02541394,
CID2757656,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.738g/mol |
| Monoisotopic Mass | 276.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number