Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester
TL;DR: Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester (CAS 139131-33-2) is a chemical compound with molecular formula C7H7FO2S2 and molecular weight 205.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-4-methylsulfanylsulfonylbenzene
Also Known As: 1-Fluoro-4-methylsulfanylsulfonylbenzene, Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester, 1-fluoro-4-methylsulfanylsulfonyl-benzene, S-Methyl 4-fluorobenzene-1-sulfonothioate
| Molecular Formula | C7H7FO2S2 |
|---|---|
| Molecular Weight | 205.99 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.98715 |
| Heavy Atoms | 12 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 139131-33-2 |
|---|---|
| SMILES | CSS(=O)(=O)C1=CC=C(C=C1)F |
| InChIKey | ZFYNQMVGDIFEJM-UHFFFAOYSA-N |
Product Overview
Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester (CAS 139131-33-2), with molecular formula C7H7FO2S2 and molecular weight 205.99 g/mol. IUPAC: 1-fluoro-4-methylsulfanylsulfonylbenzene.
Chemical Property Profile of Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester
Property Insights of Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester. Following Lipinski's Rule of Five, Benzenesulfonothioic acid, 4-fluoro-, S-methyl 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-methyl ester?
The CAS number of Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester is 139131-33-2.
What is the molecular formula of Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester?
The molecular formula of Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester is C7H7FO2S2.
What is the molecular weight of Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester?
The molecular weight of Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester is 205.99 g/mol.
Where can I buy Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester?
You can request a quote for Benzenesulfonothioic acid, 4-fluoro-, S-methyl 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-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonothioic acid, 4-fluoro-, S-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.