2-(Trifluoromethyl)benzene-1-carbothioamide
TL;DR: 2-(Trifluoromethyl)benzene-1-carbothioamide (CAS 886496-67-9) is a chemical compound with molecular formula C8H6F3NS and molecular weight 205.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)benzenecarbothioamide
Also Known As: 2-(trifluoromethyl)thiobenzamide, 2-(Trifluoromethyl)benzothioamide, 2-(trifluoromethyl)benzenecarbothioamide, 2-(trifluoromethyl)benzene-1-carbothioamide, 2-Trifluoromethylthiobenzamide
| Molecular Formula | C8H6F3NS |
|---|---|
| Molecular Weight | 205.02 g/mol |
| LogP | 2.3396 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.0173 |
| Heavy Atoms | 13 |
| Complexity | 332.4062 |
Chemical Identifiers
| CAS Number | 886496-67-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=S)N)C(F)(F)F |
Product Overview
2-(Trifluoromethyl)benzene-1-carbothioamide (CAS 886496-67-9), with molecular formula C8H6F3NS and molecular weight 205.02 g/mol. IUPAC: 2-(trifluoromethyl)benzenecarbothioamide.
Chemical Property Profile of 2-(Trifluoromethyl)benzene-1-carbothioamide
Property Insights of 2-(Trifluoromethyl)benzene-1-carbothioamide
The XLogP value of 2.3396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoromethyl)benzene-1-carbothioamide. With a topological polar surface area (TPSA) of 26.02 Ų, 2-(Trifluoromethyl)benzene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethyl)benzene-1-carbothioamide has 1 hydrogen bond donor(s) and 1 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-(Trifluoromethyl)benzene-1-carbothioamide?
The CAS number of 2-(Trifluoromethyl)benzene-1-carbothioamide is 886496-67-9.
What is the molecular formula of 2-(Trifluoromethyl)benzene-1-carbothioamide?
The molecular formula of 2-(Trifluoromethyl)benzene-1-carbothioamide is C8H6F3NS.
What is the molecular weight of 2-(Trifluoromethyl)benzene-1-carbothioamide?
The molecular weight of 2-(Trifluoromethyl)benzene-1-carbothioamide is 205.02 g/mol.
Where can I buy 2-(Trifluoromethyl)benzene-1-carbothioamide?
You can request a quote for 2-(Trifluoromethyl)benzene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethyl)benzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethyl)benzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.