3,5-Difluorobenzyl Mercaptan
TL;DR: 3,5-Difluorobenzyl Mercaptan (CAS 358368-13-5) is a chemical compound with molecular formula C7H6F2S and molecular weight 160.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-difluorophenyl)methanethiol
Also Known As: (3,5-difluorophenyl)methanethiol, 3,5-Difluorobenzyl mercaptan, 3,5-Difluorobenzylmercaptan, BENZENEMETHANETHIOL, 3,5-DIFLUORO-, (3,5-difluorophenyl)methane-1-thiol
| Molecular Formula | C7H6F2S |
|---|---|
| Molecular Weight | 160.02 g/mol |
| LogP | 2.3946 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.01582 |
| Heavy Atoms | 10 |
| Complexity | 214.79776 |
Chemical Identifiers
| CAS Number | 358368-13-5 |
|---|---|
| SMILES | C1=C(C=C(C=C1F)F)CS |
Product Overview
3,5-Difluorobenzyl Mercaptan (CAS 358368-13-5), with molecular formula C7H6F2S and molecular weight 160.02 g/mol. IUPAC: (3,5-difluorophenyl)methanethiol.
Chemical Property Profile of 3,5-Difluorobenzyl Mercaptan
Property Insights of 3,5-Difluorobenzyl Mercaptan
The XLogP value of 2.3946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Difluorobenzyl Mercaptan. With a topological polar surface area (TPSA) of 0.0 Ų, 3,5-Difluorobenzyl Mercaptan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Difluorobenzyl 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-Difluorobenzyl Mercaptan?
The CAS number of 3,5-Difluorobenzyl Mercaptan is 358368-13-5.
What is the molecular formula of 3,5-Difluorobenzyl Mercaptan?
The molecular formula of 3,5-Difluorobenzyl Mercaptan is C7H6F2S.
What is the molecular weight of 3,5-Difluorobenzyl Mercaptan?
The molecular weight of 3,5-Difluorobenzyl Mercaptan is 160.02 g/mol.
Where can I buy 3,5-Difluorobenzyl Mercaptan?
You can request a quote for 3,5-Difluorobenzyl 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-Difluorobenzyl Mercaptan?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Difluorobenzyl Mercaptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.