![2-[(4-Methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile structure](/static/products/4778/477867-12-2.webp)
2-[(4-Methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile
TL;DR: 2-[(4-Methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile (CAS 477867-12-2) is a chemical compound with molecular formula C15H10F3NS and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfanyl-5-(trifluoromethyl)benzonitrile
Also Known As: 2-[(4-methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile, 1L-581S, 2-[(4-methylphenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile, 2-(4-methylphenyl)sulfanyl-5-(trifluoromethyl)benzonitrile, 2-(p-tolylsulfanyl)-5-(trifluoromethyl)benzonitrile
| Molecular Formula | C15H10F3NS |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 5.0367 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.0486 |
| Heavy Atoms | 20 |
| Complexity | 654.2993 |
Chemical Identifiers
| CAS Number | 477867-12-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(F)(F)F)C#N |
Product Overview
2-[(4-Methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile (CAS 477867-12-2), with molecular formula C15H10F3NS and molecular weight 293.05 g/mol. IUPAC: 2-(4-methylphenyl)sulfanyl-5-(trifluoromethyl)benzonitrile.
Chemical Property Profile of 2-[(4-Methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile
Property Insights of 2-[(4-Methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile
The XLogP value of 5.0367 indicates that 2-[(4-Methylphenyl)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-[(4-Methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Methylphenyl)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-[(4-Methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile?
The CAS number of 2-[(4-Methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile is 477867-12-2.
What is the molecular formula of 2-[(4-Methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile?
The molecular formula of 2-[(4-Methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile is C15H10F3NS.
What is the molecular weight of 2-[(4-Methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile?
The molecular weight of 2-[(4-Methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile is 293.05 g/mol.
Where can I buy 2-[(4-Methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile?
You can request a quote for 2-[(4-Methylphenyl)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-[(4-Methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methylphenyl)sulfanyl]-5-(trifluoromethyl)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.