| CAS Number | 1179057-31-8 |
| Catalog Number | AG01A86K |
| Chemical Name | 4-Chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine |
| IUPAC Name | 4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine |
| InChI | InChI=1S/C14H11ClN2OS/c1-18-7-11-16-13(15)12-10(8-19-14(12)17-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3 |
| InChI Key | LGEYDTOXPHBQJZ-UHFFFAOYSA-N |
| MDL Number | MFCD12876861 |
| Molecular Formula | C14H11ClN2OS |
| Molecular Weight | 290.7679 |
| SMILES | COCC1=NC2=C(C(C3=CC=CC=C3)=CS2)C(Cl)=N1 |
| Synonyms | 4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine,
1179057-31-8,
AC1Q4FLI,
CTK7B2776,
ZINC37757021,
AKOS008143812,
MCULE-9944284868,
NE38754,
EN300-60861,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.765g/mol |
| Monoisotopic Mass | 290.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number