3,5-Bis(trifluoromethyl)benzyl mercaptan
TL;DR: 3,5-Bis(trifluoromethyl)benzyl mercaptan (CAS 158144-84-4) is a chemical compound with molecular formula C9H6F6S and molecular weight 260.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(trifluoromethyl)phenyl]methanethiol
Also Known As: 3,5-Bis(trifluoromethyl)benzyl mercaptan, [3,5-bis(trifluoromethyl)phenyl]methanethiol, 6-Ethoxy-2-methylbenzo[d]oxazole, (3,5-bis(trifluoromethyl)phenyl)methanethiol, 3,5-Bis(trifluoromethyl)benzylmercaptan
| Molecular Formula | C9H6F6S |
|---|---|
| Molecular Weight | 260.01 g/mol |
| LogP | 4.154 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.00943 |
| Heavy Atoms | 16 |
| Complexity | 346.3161 |
Chemical Identifiers
| CAS Number | 158144-84-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CS |
Product Overview
3,5-Bis(trifluoromethyl)benzyl mercaptan (CAS 158144-84-4), with molecular formula C9H6F6S and molecular weight 260.01 g/mol. IUPAC: [3,5-bis(trifluoromethyl)phenyl]methanethiol.
Chemical Property Profile of 3,5-Bis(trifluoromethyl)benzyl mercaptan
Property Insights of 3,5-Bis(trifluoromethyl)benzyl mercaptan
The XLogP value of 4.154 indicates that 3,5-Bis(trifluoromethyl)benzyl mercaptan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,5-Bis(trifluoromethyl)benzyl mercaptan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)benzyl mercaptan 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 3,5-Bis(trifluoromethyl)benzyl mercaptan?
The CAS number of 3,5-Bis(trifluoromethyl)benzyl mercaptan is 158144-84-4.
What is the molecular formula of 3,5-Bis(trifluoromethyl)benzyl mercaptan?
The molecular formula of 3,5-Bis(trifluoromethyl)benzyl mercaptan is C9H6F6S.
What is the molecular weight of 3,5-Bis(trifluoromethyl)benzyl mercaptan?
The molecular weight of 3,5-Bis(trifluoromethyl)benzyl mercaptan is 260.01 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)benzyl mercaptan?
You can request a quote for 3,5-Bis(trifluoromethyl)benzyl mercaptan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(trifluoromethyl)benzyl mercaptan?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(trifluoromethyl)benzyl mercaptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.