2-(Methylthio)benzylamine
TL;DR: 2-(Methylthio)benzylamine (CAS 56004-83-2) is a chemical compound with molecular formula C8H11NS and molecular weight 153.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylsulfanylphenyl)methanamine
Also Known As: 2-(Methylthio)benzylamine, (2-(methylthio)phenyl)methanamine, (2-methylsulfanylphenyl)methanamine, 2-methylthiobenzylamine, 2-methylthio benzylamine
| Molecular Formula | C8H11NS |
|---|---|
| Molecular Weight | 153.06 g/mol |
| LogP | 1.8672 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.06122 |
| Heavy Atoms | 10 |
| Complexity | 187.1675 |
Chemical Identifiers
| CAS Number | 56004-83-2 |
|---|---|
| SMILES | CSC1=CC=CC=C1CN |
Product Overview
2-(Methylthio)benzylamine (CAS 56004-83-2), with molecular formula C8H11NS and molecular weight 153.06 g/mol. IUPAC: (2-methylsulfanylphenyl)methanamine.
Chemical Property Profile of 2-(Methylthio)benzylamine
Property Insights of 2-(Methylthio)benzylamine
The XLogP value of 1.8672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)benzylamine. With a topological polar surface area (TPSA) of 26.02 Ų, 2-(Methylthio)benzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylthio)benzylamine has 1 hydrogen bond donor(s) and 2 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-(Methylthio)benzylamine?
The CAS number of 2-(Methylthio)benzylamine is 56004-83-2.
What is the molecular formula of 2-(Methylthio)benzylamine?
The molecular formula of 2-(Methylthio)benzylamine is C8H11NS.
What is the molecular weight of 2-(Methylthio)benzylamine?
The molecular weight of 2-(Methylthio)benzylamine is 153.06 g/mol.
Where can I buy 2-(Methylthio)benzylamine?
You can request a quote for 2-(Methylthio)benzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)benzylamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)benzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.