4-Nitro-3-(trifluoromethyl)benzenethiol
TL;DR: 4-Nitro-3-(trifluoromethyl)benzenethiol (CAS 39234-82-7) is a chemical compound with molecular formula C7H4F3NO2S and molecular weight 222.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-3-(trifluoromethyl)benzenethiol
Also Known As: 4-Nitro-3-(trifluoromethyl)benzenethiol, EINECS 254-370-5, 4-Nitro-3-trifluoromethylbenzenethiol, 4-nitro-3-(trifluoromethyl)benzene-1-thiol, Benzenethiol, 4-nitro-3-(trifluoromethyl)-
| Molecular Formula | C7H4F3NO2S |
|---|---|
| Molecular Weight | 222.99 g/mol |
| LogP | 2.9023 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.99149 |
| Heavy Atoms | 14 |
| Complexity | 377.68793 |
Chemical Identifiers
| CAS Number | 39234-82-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1S)C(F)(F)F)[N+](=O)[O-] |
Product Overview
4-Nitro-3-(trifluoromethyl)benzenethiol (CAS 39234-82-7), with molecular formula C7H4F3NO2S and molecular weight 222.99 g/mol. IUPAC: 4-nitro-3-(trifluoromethyl)benzenethiol.
Chemical Property Profile of 4-Nitro-3-(trifluoromethyl)benzenethiol
Property Insights of 4-Nitro-3-(trifluoromethyl)benzenethiol
The XLogP value of 2.9023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-3-(trifluoromethyl)benzenethiol. With a topological polar surface area (TPSA) of 43.14 Ų, 4-Nitro-3-(trifluoromethyl)benzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitro-3-(trifluoromethyl)benzenethiol 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 4-Nitro-3-(trifluoromethyl)benzenethiol?
The CAS number of 4-Nitro-3-(trifluoromethyl)benzenethiol is 39234-82-7.
What is the molecular formula of 4-Nitro-3-(trifluoromethyl)benzenethiol?
The molecular formula of 4-Nitro-3-(trifluoromethyl)benzenethiol is C7H4F3NO2S.
What is the molecular weight of 4-Nitro-3-(trifluoromethyl)benzenethiol?
The molecular weight of 4-Nitro-3-(trifluoromethyl)benzenethiol is 222.99 g/mol.
Where can I buy 4-Nitro-3-(trifluoromethyl)benzenethiol?
You can request a quote for 4-Nitro-3-(trifluoromethyl)benzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-3-(trifluoromethyl)benzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-3-(trifluoromethyl)benzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.