1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene
TL;DR: 1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene (CAS 653-39-4) is a chemical compound with molecular formula C7H3F5S and molecular weight 213.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentafluoro-6-methylsulfanylbenzene
Also Known As: Benzene, pentafluoro(methylthio)-, Pentafluorothioanisole, Methyl(perfluorophenyl)sulfane, Sulfide, methyl pentafluorophenyl, Methylpentafluorophenyl sulfide
| Molecular Formula | C7H3F5S |
|---|---|
| Molecular Weight | 213.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.98756 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 653-39-4 |
|---|---|
| SMILES | CSC1=C(C(=C(C(=C1F)F)F)F)F |
| InChIKey | NBOZXHXBHUVRNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene (CAS 653-39-4), with molecular formula C7H3F5S and molecular weight 213.99 g/mol. IUPAC: 1,2,3,4,5-pentafluoro-6-methylsulfanylbenzene.
Chemical Property Profile of 1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene
Property Insights of 1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene. With a topological polar surface area (TPSA) of 25.3 Ų, 1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene has 0 hydrogen bond donor(s) and 6 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 1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene?
The CAS number of 1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene is 653-39-4.
What is the molecular formula of 1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene?
The molecular formula of 1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene is C7H3F5S.
What is the molecular weight of 1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene?
The molecular weight of 1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene is 213.99 g/mol.
Where can I buy 1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene?
You can request a quote for 1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5-Pentafluoro-6-(methylsulfanyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.