(2,4-Difluorophenyl)methanethiol
TL;DR: (2,4-Difluorophenyl)methanethiol (CAS 312692-89-0) 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.
(2,4-difluorophenyl)methanethiol
Also Known As: (2,4-difluorophenyl)methanethiol, 2,4-Difluorobenzylmercaptan, 2,4-difluorophenylmethanethiol, BENZENEMETHANETHIOL, 2,4-DIFLUORO-, 2,4-Difluorobenzenemethanethiol
| 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 | 235.04776 |
Chemical Identifiers
| CAS Number | 312692-89-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)F)CS |
Product Overview
(2,4-Difluorophenyl)methanethiol (CAS 312692-89-0), with molecular formula C7H6F2S and molecular weight 160.02 g/mol. IUPAC: (2,4-difluorophenyl)methanethiol.
Chemical Property Profile of (2,4-Difluorophenyl)methanethiol
Property Insights of (2,4-Difluorophenyl)methanethiol
The XLogP value of 2.3946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4-Difluorophenyl)methanethiol. With a topological polar surface area (TPSA) of 0.0 Ų, (2,4-Difluorophenyl)methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4-Difluorophenyl)methanethiol 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 (2,4-Difluorophenyl)methanethiol?
The CAS number of (2,4-Difluorophenyl)methanethiol is 312692-89-0.
What is the molecular formula of (2,4-Difluorophenyl)methanethiol?
The molecular formula of (2,4-Difluorophenyl)methanethiol is C7H6F2S.
What is the molecular weight of (2,4-Difluorophenyl)methanethiol?
The molecular weight of (2,4-Difluorophenyl)methanethiol is 160.02 g/mol.
Where can I buy (2,4-Difluorophenyl)methanethiol?
You can request a quote for (2,4-Difluorophenyl)methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-Difluorophenyl)methanethiol?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Difluorophenyl)methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.