![3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile structure](/static/products/4007/400751-63-5.webp)
3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile
TL;DR: 3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile (CAS 400751-63-5) is a chemical compound with molecular formula C14H9F3N2S and molecular weight 294.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-[3-(trifluoromethyl)phenyl]sulfanylbenzonitrile
Also Known As: 3-(4-methylphenyl)aniline, 3-Amino-4-{[3-(trifluoromethyl)phenyl]thio}benzonitrile, 3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile, 3-Amino-4-{[3-(trifluoromethyl)phenyl]sulfanyl} benzenecarbonitrile, 3-amino-4-{[3-(trifluoromethyl)phenyl]sulfanyl}benzonitrile
| Molecular Formula | C14H9F3N2S |
|---|---|
| Molecular Weight | 294.04 g/mol |
| LogP | 4.31048 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.04385 |
| Heavy Atoms | 20 |
| Complexity | 674.84973 |
Chemical Identifiers
| CAS Number | 400751-63-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC2=C(C=C(C=C2)C#N)N)C(F)(F)F |
Product Overview
3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile (CAS 400751-63-5), with molecular formula C14H9F3N2S and molecular weight 294.04 g/mol. IUPAC: 3-amino-4-[3-(trifluoromethyl)phenyl]sulfanylbenzonitrile.
Chemical Property Profile of 3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile
Property Insights of 3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile
The XLogP value of 4.31048 indicates that 3-Amino-4-{[3-(trifluoromethyl)phenyl]-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, 3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-4-{[3-(trifluoromethyl)phenyl]-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 3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile?
The CAS number of 3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile is 400751-63-5.
What is the molecular formula of 3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile?
The molecular formula of 3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile is C14H9F3N2S.
What is the molecular weight of 3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile?
The molecular weight of 3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile is 294.04 g/mol.
Where can I buy 3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile?
You can request a quote for 3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}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-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-{[3-(trifluoromethyl)phenyl]-sulfanyl}benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.