I(2)-(Methylthio)benzeneethanamine
TL;DR: I(2)-(Methylthio)benzeneethanamine (CAS 98234-85-6) is a chemical compound with molecular formula C9H13NS and molecular weight 167.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-2-phenylethanamine
Also Known As: beta-(Methylthio)benzeneethanamine, 2-methylsulfanyl-2-phenylethanamine, I(2)-(Methylthio)benzeneethanamine, 2-methylsulfanyl-2-phenyl-ethanamine, 2-(methylsulfanyl)-2-phenylethan-1-amine
| Molecular Formula | C9H13NS |
|---|---|
| Molecular Weight | 167.08 g/mol |
| LogP | 2.0494 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.07687 |
| Heavy Atoms | 11 |
| Complexity | 193.97752 |
Chemical Identifiers
| CAS Number | 98234-85-6 |
|---|---|
| SMILES | CSC(CN)C1=CC=CC=C1 |
Product Overview
I(2)-(Methylthio)benzeneethanamine (CAS 98234-85-6), with molecular formula C9H13NS and molecular weight 167.08 g/mol. IUPAC: 2-methylsulfanyl-2-phenylethanamine.
Chemical Property Profile of I(2)-(Methylthio)benzeneethanamine
Property Insights of I(2)-(Methylthio)benzeneethanamine
The XLogP value of 2.0494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for I(2)-(Methylthio)benzeneethanamine. With a topological polar surface area (TPSA) of 26.02 Ų, I(2)-(Methylthio)benzeneethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, I(2)-(Methylthio)benzeneethanamine 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 I(2)-(Methylthio)benzeneethanamine?
The CAS number of I(2)-(Methylthio)benzeneethanamine is 98234-85-6.
What is the molecular formula of I(2)-(Methylthio)benzeneethanamine?
The molecular formula of I(2)-(Methylthio)benzeneethanamine is C9H13NS.
What is the molecular weight of I(2)-(Methylthio)benzeneethanamine?
The molecular weight of I(2)-(Methylthio)benzeneethanamine is 167.08 g/mol.
Where can I buy I(2)-(Methylthio)benzeneethanamine?
You can request a quote for I(2)-(Methylthio)benzeneethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I(2)-(Methylthio)benzeneethanamine?
Yes, KEHONG BIO provides custom synthesis services for I(2)-(Methylthio)benzeneethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.