Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester
TL;DR: Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester (CAS 139131-41-2) is a chemical compound with molecular formula C8H7FO2S2 and molecular weight 217.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethenylsulfanylsulfonyl-4-fluorobenzene
Also Known As: 1-ethenylsulfanylsulfonyl-4-fluorobenzene, Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester, 1-ethenylsulfanylsulfonyl-4-fluoro-benzene, S-Ethenyl 4-fluorobenzene-1-sulfonothioate, 1-[(ethenylsulfanyl)sulfonyl]-4-fluorobenzene
| Molecular Formula | C8H7FO2S2 |
|---|---|
| Molecular Weight | 217.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.98715 |
| Heavy Atoms | 13 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 139131-41-2 |
|---|---|
| SMILES | C=CSS(=O)(=O)C1=CC=C(C=C1)F |
| InChIKey | UECKCYNSMATBKX-UHFFFAOYSA-N |
Product Overview
Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester (CAS 139131-41-2), with molecular formula C8H7FO2S2 and molecular weight 217.99 g/mol. IUPAC: 1-ethenylsulfanylsulfonyl-4-fluorobenzene.
Chemical Property Profile of Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester
Property Insights of Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester. Following Lipinski's Rule of Five, Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester has 0 hydrogen bond donor(s) and 4 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 Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester?
The CAS number of Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester is 139131-41-2.
What is the molecular formula of Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester?
The molecular formula of Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester is C8H7FO2S2.
What is the molecular weight of Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester?
The molecular weight of Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester is 217.99 g/mol.
Where can I buy Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester?
You can request a quote for Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonothioic acid, 4-fluoro-, S-ethenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.