2-(2-Pyridylmethylthio)aniline
TL;DR: 2-(2-Pyridylmethylthio)aniline (CAS 19980-53-1) is a chemical compound with molecular formula C12H12N2S and molecular weight 216.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridin-2-ylmethylsulfanyl)aniline
Also Known As: 2-(2-Pyridylmethylthio)aniline, 2-(2-pyr-idylmethylthio)-aniline, 2-(pyridin-2-ylmethylsulfanyl)aniline, 2-((pyridin-2-ylmethyl)thio)aniline, 2-((pyridine-2-yl)methylthio)benzenamine
| Molecular Formula | C12H12N2S |
|---|---|
| Molecular Weight | 216.07 g/mol |
| LogP | 2.9561 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.07211 |
| Heavy Atoms | 15 |
| Complexity | 428.64706 |
Chemical Identifiers
| CAS Number | 19980-53-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SCC2=CC=CC=N2 |
Product Overview
2-(2-Pyridylmethylthio)aniline (CAS 19980-53-1), with molecular formula C12H12N2S and molecular weight 216.07 g/mol. IUPAC: 2-(pyridin-2-ylmethylsulfanyl)aniline.
Chemical Property Profile of 2-(2-Pyridylmethylthio)aniline
Property Insights of 2-(2-Pyridylmethylthio)aniline
The XLogP value of 2.9561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Pyridylmethylthio)aniline. With a topological polar surface area (TPSA) of 38.91 Ų, 2-(2-Pyridylmethylthio)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Pyridylmethylthio)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
Frequently Asked Questions
What is the CAS number of 2-(2-Pyridylmethylthio)aniline?
The CAS number of 2-(2-Pyridylmethylthio)aniline is 19980-53-1.
What is the molecular formula of 2-(2-Pyridylmethylthio)aniline?
The molecular formula of 2-(2-Pyridylmethylthio)aniline is C12H12N2S.
What is the molecular weight of 2-(2-Pyridylmethylthio)aniline?
The molecular weight of 2-(2-Pyridylmethylthio)aniline is 216.07 g/mol.
Where can I buy 2-(2-Pyridylmethylthio)aniline?
You can request a quote for 2-(2-Pyridylmethylthio)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Pyridylmethylthio)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Pyridylmethylthio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.