3-Amino-4-(phenylsulfanyl)benzenecarbonitrile
TL;DR: 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile (CAS 337923-85-0) is a chemical compound with molecular formula C13H10N2S and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-phenylsulfanylbenzonitrile
Also Known As: 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile, 3-Amino-4-(phenylthio)benzonitrile, 3-amino-4-phenylsulfanylbenzonitrile, 3-amino-4-(phenylsulfanyl)benzonitrile, 2-Amino-4-cyanodiphenyl thioether
| Molecular Formula | C13H10N2S |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 3.29168 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.05647 |
| Heavy Atoms | 16 |
| Complexity | 529.374 |
Chemical Identifiers
| CAS Number | 337923-85-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C=C(C=C2)C#N)N |
Product Overview
3-Amino-4-(phenylsulfanyl)benzenecarbonitrile (CAS 337923-85-0), with molecular formula C13H10N2S and molecular weight 226.06 g/mol. IUPAC: 3-amino-4-phenylsulfanylbenzonitrile.
Chemical Property Profile of 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile
Property Insights of 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile
The XLogP value of 3.29168 indicates that 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.81 Ų, 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile 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 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile?
The CAS number of 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile is 337923-85-0.
What is the molecular formula of 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile?
The molecular formula of 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile is C13H10N2S.
What is the molecular weight of 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile?
The molecular weight of 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile is 226.06 g/mol.
Where can I buy 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile?
You can request a quote for 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-(phenylsulfanyl)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.