S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate
TL;DR: S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate (CAS 63746-90-7) is a chemical compound with molecular formula C14H10F3NO2S and molecular weight 313.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-hydroxyphenyl) N-[2-(trifluoromethyl)phenyl]carbamothioate
Also Known As: S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate, s-(2-hydroxyphenyl) n-(2-(trifluoromethyl)phenyl)thiocarbamate, 1-(2-hydroxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]formamide, S-(2-hydroxyphenyl) N-[2-(trifluoromethyl)phenyl]carbamothioate
| Molecular Formula | C14H10F3NO2S |
|---|---|
| Molecular Weight | 313.04 g/mol |
| LogP | 4.7352 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.03842 |
| Heavy Atoms | 21 |
| Complexity | 658.66254 |
Chemical Identifiers
| CAS Number | 63746-90-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)NC(=O)SC2=CC=CC=C2O |
Product Overview
S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate (CAS 63746-90-7), with molecular formula C14H10F3NO2S and molecular weight 313.04 g/mol. IUPAC: S-(2-hydroxyphenyl) N-[2-(trifluoromethyl)phenyl]carbamothioate.
Chemical Property Profile of S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate
Property Insights of S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate
The XLogP value of 4.7352 indicates that S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate has 2 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 S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate?
The CAS number of S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate is 63746-90-7.
What is the molecular formula of S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate?
The molecular formula of S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate is C14H10F3NO2S.
What is the molecular weight of S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate?
The molecular weight of S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate is 313.04 g/mol.
Where can I buy S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate?
You can request a quote for S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-hydroxyphenyl) 2-(trifluoromethyl)phenylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.