![[2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine structure](/static/products/862/862595-59-3.png)
[2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine
TL;DR: [2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine (CAS 862595-59-3) is a chemical compound with molecular formula C12H14N2S and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylsulfanyl-6-pyrrol-1-ylphenyl)methanamine
Also Known As: [2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine, (2-methylsulfanyl-6-pyrrol-1-yl-phenyl)methanamine, (2-methylsulfanyl-6-pyrrol-1-ylphenyl)methanamine, Benzenemethanamine, 2-(methylthio)-6-(1H-pyrrol-1-yl)-
| Molecular Formula | C12H14N2S |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.6579 |
| Topological Polar Surface Area | 30.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.08777 |
| Heavy Atoms | 15 |
| Complexity | 434.8877 |
Chemical Identifiers
| CAS Number | 862595-59-3 |
|---|---|
| SMILES | CSC1=CC=CC(=C1CN)N2C=CC=C2 |
Product Overview
[2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine (CAS 862595-59-3), with molecular formula C12H14N2S and molecular weight 218.09 g/mol. IUPAC: (2-methylsulfanyl-6-pyrrol-1-ylphenyl)methanamine.
Chemical Property Profile of [2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine
Property Insights of [2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine
The XLogP value of 2.6579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine. With a topological polar surface area (TPSA) of 30.95 Ų, [2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine 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-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine?
The CAS number of [2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine is 862595-59-3.
What is the molecular formula of [2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine?
The molecular formula of [2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine is C12H14N2S.
What is the molecular weight of [2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine?
The molecular weight of [2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine is 218.09 g/mol.
Where can I buy [2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine?
You can request a quote for [2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine?
Yes, KEHONG BIO provides custom synthesis services for [2-(methylsulfanyl)-6-(1H-pyrrol-1-yl)phenyl]methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.