| CAS Number | 1183987-96-3 |
| Catalog Number | AG01A81L |
| Chemical Name | ((4-Chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl)dimethylamine |
| IUPAC Name | 1-(4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)-N,N-dimethylmethanamine |
| InChI | InChI=1S/C15H14ClN3S/c1-19(2)8-12-17-14(16)13-11(9-20-15(13)18-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChI Key | PTDBGXVJPZIESI-UHFFFAOYSA-N |
| MDL Number | MFCD15209577 |
| Molecular Formula | C15H14ClN3S |
| Molecular Weight | 303.8098 |
| SMILES | CN(CC1=NC2=C(C(C3=CC=CC=C3)=CS2)C(Cl)=N1)C |
| Synonyms | ({4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl}methyl)dimethylamine,
1183987-96-3,
AC1Q3WOR,
CTK6I0515,
ZINC95202005,
AKOS010146370,
MCULE-5020610545,
NE32400,
EN300-60453,
((4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl)methyl)dimethylamine,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.808g/mol |
| Monoisotopic Mass | 303.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number