2-(Trifluoromethyl)phenylmethanethiol
TL;DR: 2-(Trifluoromethyl)phenylmethanethiol (CAS 26039-98-5) is a chemical compound with molecular formula C8H7F3S and molecular weight 192.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(trifluoromethyl)phenyl]methanethiol
Also Known As: 2-(trifluoromethyl)phenylmethanethiol, 2-Trifluoromethylbenzyl mercaptan, [2-(trifluoromethyl)phenyl]methanethiol, 2-(trifluoromethyl)benzyl mercaptan, 2-Trifluoromethylbenzylmercaptan
| Molecular Formula | C8H7F3S |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 3.1352 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.02205 |
| Heavy Atoms | 12 |
| Complexity | 267.25064 |
Chemical Identifiers
| CAS Number | 26039-98-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CS)C(F)(F)F |
Product Overview
2-(Trifluoromethyl)phenylmethanethiol (CAS 26039-98-5), with molecular formula C8H7F3S and molecular weight 192.02 g/mol. IUPAC: [2-(trifluoromethyl)phenyl]methanethiol.
Chemical Property Profile of 2-(Trifluoromethyl)phenylmethanethiol
Property Insights of 2-(Trifluoromethyl)phenylmethanethiol
The XLogP value of 3.1352 indicates that 2-(Trifluoromethyl)phenylmethanethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-(Trifluoromethyl)phenylmethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethyl)phenylmethanethiol 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)phenylmethanethiol?
The CAS number of 2-(Trifluoromethyl)phenylmethanethiol is 26039-98-5.
What is the molecular formula of 2-(Trifluoromethyl)phenylmethanethiol?
The molecular formula of 2-(Trifluoromethyl)phenylmethanethiol is C8H7F3S.
What is the molecular weight of 2-(Trifluoromethyl)phenylmethanethiol?
The molecular weight of 2-(Trifluoromethyl)phenylmethanethiol is 192.02 g/mol.
Where can I buy 2-(Trifluoromethyl)phenylmethanethiol?
You can request a quote for 2-(Trifluoromethyl)phenylmethanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethyl)phenylmethanethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethyl)phenylmethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.