| CAS Number | 953894-24-1 |
| Catalog Number | AG019UB0 |
| Chemical Name | 2-(4-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine |
| IUPAC Name | 2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine |
| InChI | InChI=1S/C15H17ClN2S/c16-13-3-1-11(2-4-13)14(9-17)18-7-5-15-12(10-18)6-8-19-15/h1-4,6,8,14H,5,7,9-10,17H2 |
| InChI Key | RVVLOQAOXHQBNA-UHFFFAOYSA-N |
| MDL Number | MFCD09729900 |
| Molecular Formula | C15H17ClN2S |
| Molecular Weight | 292.8269 |
| SMILES | NCC(C1=CC=C(Cl)C=C1)N1CC2=C(SC=C2)CC1 |
| Synonyms | 2-(4-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine,
953894-24-1,
2-(4-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanamine,
AC1Q53N3,
CHEMBL3460897,
CTK7E3598,
AKOS000138876,
AKOS016900796,
MCULE-8076727163,
NE25513,
EN300-41144,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.825g/mol |
| Monoisotopic Mass | 292.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number