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2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile
TL;DR: 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile (CAS 477866-76-5) is a chemical compound with molecular formula C14H7ClF3NS and molecular weight 312.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)sulfanyl-5-(trifluoromethyl)benzonitrile
Also Known As: 2-[(3-chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile, 2-(3-chlorophenyl)sulfanyl-5-(trifluoromethyl)benzonitrile, 2-[(3-chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile, 2-((3-Chlorophenyl)sulfanyl)-5-(trifluoromethyl)benzenecarbonitrile, 2-(3-Chlorophenyl)sulfanyl-5-(trifluoromethyl)benzenecarbonitrile
| Molecular Formula | C14H7ClF3NS |
|---|---|
| Molecular Weight | 312.99 g/mol |
| LogP | 5.38168 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.994 |
| Heavy Atoms | 20 |
| Complexity | 676.84973 |
Chemical Identifiers
| CAS Number | 477866-76-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)SC2=C(C=C(C=C2)C(F)(F)F)C#N |
Product Overview
2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile (CAS 477866-76-5), with molecular formula C14H7ClF3NS and molecular weight 312.99 g/mol. IUPAC: 2-(3-chlorophenyl)sulfanyl-5-(trifluoromethyl)benzonitrile.
Chemical Property Profile of 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile
Property Insights of 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile
The XLogP value of 5.38168 indicates that 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile 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-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile?
The CAS number of 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile is 477866-76-5.
What is the molecular formula of 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile?
The molecular formula of 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile is C14H7ClF3NS.
What is the molecular weight of 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile?
The molecular weight of 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile is 312.99 g/mol.
Where can I buy 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile?
You can request a quote for 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.