4-(((Pyridin-3-yl)methyl)sulfanyl)aniline
TL;DR: 4-(((Pyridin-3-yl)methyl)sulfanyl)aniline (CAS 125382-42-5) 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.
4-(pyridin-3-ylmethylsulfanyl)aniline
Also Known As: 4-[(pyridin-3-ylmethyl)sulfanyl]aniline, 4-[(pyridin-3-ylmethyl)thio]aniline, 4-(pyridin-3-ylmethylsulfanyl)aniline, 4-{[(pyridin-3-yl)methyl]sulfanyl}aniline, 4-(3-pyridylmethylthio)phenylamine
Technical Specifications
| Molecular Formula | C12H12N2S |
| Molecular Weight | 216.07211 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 64.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.07211 Da |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
| SMILES | C1=CC(=CN=C1)CSC2=CC=C(C=C2)N |
| InChIKey | MMBPOQASTKXFCX-UHFFFAOYSA-N |
Chemical Property Profile of 4-(((Pyridin-3-yl)methyl)sulfanyl)aniline
Property Insights of 4-(((Pyridin-3-yl)methyl)sulfanyl)aniline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((Pyridin-3-yl)methyl)sulfanyl)aniline. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((Pyridin-3-yl)methyl)sulfanyl)aniline. Following Lipinski's Rule of Five, 4-(((Pyridin-3-yl)methyl)sulfanyl)aniline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(((Pyridin-3-yl)methyl)sulfanyl)aniline?
The CAS number of 4-(((Pyridin-3-yl)methyl)sulfanyl)aniline is 125382-42-5.
What is the molecular formula of 4-(((Pyridin-3-yl)methyl)sulfanyl)aniline?
The molecular formula of 4-(((Pyridin-3-yl)methyl)sulfanyl)aniline is C12H12N2S.
What is the molecular weight of 4-(((Pyridin-3-yl)methyl)sulfanyl)aniline?
The molecular weight of 4-(((Pyridin-3-yl)methyl)sulfanyl)aniline is 216.07211 g/mol.
Where can I buy 4-(((Pyridin-3-yl)methyl)sulfanyl)aniline?
You can request a quote for 4-(((Pyridin-3-yl)methyl)sulfanyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(((Pyridin-3-yl)methyl)sulfanyl)aniline?
Yes, CoreyChem provides custom synthesis services for 4-(((Pyridin-3-yl)methyl)sulfanyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.