5-Amino-2-(methylsulfanyl)benzonitrile
TL;DR: 5-Amino-2-(methylsulfanyl)benzonitrile (CAS 306980-70-1) is a chemical compound with molecular formula C8H8N2S and molecular weight 164.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-methylsulfanylbenzonitrile
Also Known As: 5-Amino-2-(methylsulfanyl)benzonitrile, 5-amino-2-methylsulfanylbenzonitrile, 5-Amino-2-(methylthio)benzonitrile, 5-amino-2-methylsulfanyl-benzonitrile, 5-amino-2-(methylsulfanyl)benzenecarbonitrile
| Molecular Formula | C8H8N2S |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | 1.86238 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.04082 |
| Heavy Atoms | 11 |
| Complexity | 301.45062 |
Chemical Identifiers
| CAS Number | 306980-70-1 |
|---|---|
| SMILES | CSC1=C(C=C(C=C1)N)C#N |
Product Overview
5-Amino-2-(methylsulfanyl)benzonitrile (CAS 306980-70-1), with molecular formula C8H8N2S and molecular weight 164.04 g/mol. IUPAC: 5-amino-2-methylsulfanylbenzonitrile.
Chemical Property Profile of 5-Amino-2-(methylsulfanyl)benzonitrile
Property Insights of 5-Amino-2-(methylsulfanyl)benzonitrile
The XLogP value of 1.86238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-2-(methylsulfanyl)benzonitrile. With a topological polar surface area (TPSA) of 49.81 Ų, 5-Amino-2-(methylsulfanyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-2-(methylsulfanyl)benzonitrile 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 5-Amino-2-(methylsulfanyl)benzonitrile?
The CAS number of 5-Amino-2-(methylsulfanyl)benzonitrile is 306980-70-1.
What is the molecular formula of 5-Amino-2-(methylsulfanyl)benzonitrile?
The molecular formula of 5-Amino-2-(methylsulfanyl)benzonitrile is C8H8N2S.
What is the molecular weight of 5-Amino-2-(methylsulfanyl)benzonitrile?
The molecular weight of 5-Amino-2-(methylsulfanyl)benzonitrile is 164.04 g/mol.
Where can I buy 5-Amino-2-(methylsulfanyl)benzonitrile?
You can request a quote for 5-Amino-2-(methylsulfanyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-2-(methylsulfanyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-(methylsulfanyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.