1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzene
TL;DR: 1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzene (CAS 83505-69-5) is a chemical compound with molecular formula C13H7F5S and molecular weight 290.02 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-(phenylsulfanylmethyl)benzene
Also Known As: Thiophenol, PFB, Benzene, pentafluoro[(phenylthio)methyl]-, 3,4-dihydro-6-carbethoxy-2H-pyran, 1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzene, 2,3,4,5,6-Pentafluorobenzylphenyl sulfide
| Molecular Formula | C13H7F5S |
|---|---|
| Molecular Weight | 290.02 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.01886 |
| Heavy Atoms | 19 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 83505-69-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | UBDGTQMSSHFQRU-UHFFFAOYSA-N |
Product Overview
1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzene (CAS 83505-69-5), with molecular formula C13H7F5S and molecular weight 290.02 g/mol. IUPAC: 1,2,3,4,5-pentafluoro-6-(phenylsulfanylmethyl)benzene.
Chemical Property Profile of 1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzene
Property Insights of 1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzene
The XLogP value of 4.4 indicates that 1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) 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-(phenylthiomethyl) benzene?
The CAS number of 1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzene is 83505-69-5.
What is the molecular formula of 1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzene?
The molecular formula of 1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzene is C13H7F5S.
What is the molecular weight of 1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzene?
The molecular weight of 1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzene is 290.02 g/mol.
Where can I buy 1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzene?
You can request a quote for 1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) 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-(phenylthiomethyl) benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5-Pentafluoro-6-(phenylthiomethyl) benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.