2-Chloro-6-(phenylsulfanyl)benzonitrile
TL;DR: 2-Chloro-6-(phenylsulfanyl)benzonitrile (CAS 38615-62-2) is a chemical compound with molecular formula C13H8ClNS and molecular weight 245.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-phenylsulfanylbenzonitrile
Also Known As: 2-chloro-6-(phenylsulfanyl)benzonitrile, 2-chloro-6-phenylsulfanylbenzonitrile, 2-chloro-6-phenylthio-benzonitrile, 2-chloro-6-phenylsulfanyl-benzonitrile, 2-chloro-6-(phenylsulfanyl)benzenecarbonitrile
| Molecular Formula | C13H8ClNS |
|---|---|
| Molecular Weight | 245.01 g/mol |
| LogP | 4.36288 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.00659 |
| Heavy Atoms | 16 |
| Complexity | 531.374 |
Chemical Identifiers
| CAS Number | 38615-62-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C(=CC=C2)Cl)C#N |
Product Overview
2-Chloro-6-(phenylsulfanyl)benzonitrile (CAS 38615-62-2), with molecular formula C13H8ClNS and molecular weight 245.01 g/mol. IUPAC: 2-chloro-6-phenylsulfanylbenzonitrile.
Chemical Property Profile of 2-Chloro-6-(phenylsulfanyl)benzonitrile
Property Insights of 2-Chloro-6-(phenylsulfanyl)benzonitrile
The XLogP value of 4.36288 indicates that 2-Chloro-6-(phenylsulfanyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Chloro-6-(phenylsulfanyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-(phenylsulfanyl)benzonitrile has 0 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-Chloro-6-(phenylsulfanyl)benzonitrile?
The CAS number of 2-Chloro-6-(phenylsulfanyl)benzonitrile is 38615-62-2.
What is the molecular formula of 2-Chloro-6-(phenylsulfanyl)benzonitrile?
The molecular formula of 2-Chloro-6-(phenylsulfanyl)benzonitrile is C13H8ClNS.
What is the molecular weight of 2-Chloro-6-(phenylsulfanyl)benzonitrile?
The molecular weight of 2-Chloro-6-(phenylsulfanyl)benzonitrile is 245.01 g/mol.
Where can I buy 2-Chloro-6-(phenylsulfanyl)benzonitrile?
You can request a quote for 2-Chloro-6-(phenylsulfanyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-(phenylsulfanyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-(phenylsulfanyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.