TL;DR: 2-[4-(Methylthio)phenyl]-3-pyridinamine (CAS 1026814-79-8) is a chemical compound with molecular formula C12H12N2S and molecular weight 216.07211 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methylsulfanylphenyl)pyridin-3-amine
Also Known As: 2-(4-methylsulfanylphenyl)pyridin-3-amine, 2-[4-(Methylthio)phenyl]-3-pyridinamine
| Molecular Formula | C12H12N2S |
| Molecular Weight | 216.07211 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 64.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.07211 Da |
| Heavy Atoms | 15 |
| Complexity | 190.0 |
| SMILES | CSC1=CC=C(C=C1)C2=C(C=CC=N2)N |
| InChIKey | YJYCABRWDNGLKG-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(Methylthio)phenyl]-3-pyridinamine. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(Methylthio)phenyl]-3-pyridinamine. Following Lipinski's Rule of Five, 2-[4-(Methylthio)phenyl]-3-pyridinamine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[4-(Methylthio)phenyl]-3-pyridinamine is 1026814-79-8.
The molecular formula of 2-[4-(Methylthio)phenyl]-3-pyridinamine is C12H12N2S.
The molecular weight of 2-[4-(Methylthio)phenyl]-3-pyridinamine is 216.07211 g/mol.
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