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5-Amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile
TL;DR: 5-Amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile (CAS 303147-71-9) is a chemical compound with molecular formula C13H9ClN2S and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-(4-chlorophenyl)sulfanylbenzonitrile
Also Known As: 5-amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile, 5-amino-2-[(4-chlorophenyl)sulfanyl]benzonitrile, 5-amino-2-(4-chlorophenyl)sulfanylbenzonitrile, 5-amino-2-(4-chlorophenylthio)benzonitrile, 5-amino-2-(4-chlorophenyl)sulfanyl-benzonitrile
| Molecular Formula | C13H9ClN2S |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 3.94508 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.0175 |
| Heavy Atoms | 17 |
| Complexity | 572.9636 |
Chemical Identifiers
| CAS Number | 303147-71-9 |
|---|---|
| SMILES | C1=CC(=CC=C1SC2=C(C=C(C=C2)N)C#N)Cl |
Product Overview
5-Amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile (CAS 303147-71-9), with molecular formula C13H9ClN2S and molecular weight 260.02 g/mol. IUPAC: 5-amino-2-(4-chlorophenyl)sulfanylbenzonitrile.
Chemical Property Profile of 5-Amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile
Property Insights of 5-Amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile
The XLogP value of 3.94508 indicates that 5-Amino-2-[(4-chlorophenyl)sulfanyl]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, 5-Amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-2-[(4-chlorophenyl)sulfanyl]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 5-Amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile?
The CAS number of 5-Amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile is 303147-71-9.
What is the molecular formula of 5-Amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile?
The molecular formula of 5-Amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile is C13H9ClN2S.
What is the molecular weight of 5-Amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile?
The molecular weight of 5-Amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile is 260.02 g/mol.
Where can I buy 5-Amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile?
You can request a quote for 5-Amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile 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-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.