Benzenesulfonothioic acid, S-(4-chlorophenyl) ester
TL;DR: Benzenesulfonothioic acid, S-(4-chlorophenyl) ester (CAS 1213-40-7) is a chemical compound with molecular formula C12H9ClO2S2 and molecular weight 283.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonylsulfanyl)-4-chlorobenzene
Also Known As: 1-(benzenesulfonylsulfanyl)-4-chlorobenzene, Benzenesulfonothioic acid, S-(4-chlorophenyl) ester, S-(4-Chlorophenyl)benzene thiosulfonate, S-(4-Chlorophenyl) benzenesulfonothioate, 1-(benzenesulfonylsulfanyl)-4-chloro-benzene
| Molecular Formula | C12H9ClO2S2 |
|---|---|
| Molecular Weight | 283.97 g/mol |
| LogP | 3.821 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.97324 |
| Heavy Atoms | 17 |
| Complexity | 592.1626 |
Chemical Identifiers
| CAS Number | 1213-40-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)SC2=CC=C(C=C2)Cl |
Product Overview
Benzenesulfonothioic acid, S-(4-chlorophenyl) ester (CAS 1213-40-7), with molecular formula C12H9ClO2S2 and molecular weight 283.97 g/mol. IUPAC: 1-(benzenesulfonylsulfanyl)-4-chlorobenzene.
Chemical Property Profile of Benzenesulfonothioic acid, S-(4-chlorophenyl) ester
Property Insights of Benzenesulfonothioic acid, S-(4-chlorophenyl) ester
The XLogP value of 3.821 indicates that Benzenesulfonothioic acid, S-(4-chlorophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, Benzenesulfonothioic acid, S-(4-chlorophenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonothioic acid, S-(4-chlorophenyl) ester has 0 hydrogen bond donor(s) and 3 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, S-(4-chlorophenyl) ester?
The CAS number of Benzenesulfonothioic acid, S-(4-chlorophenyl) ester is 1213-40-7.
What is the molecular formula of Benzenesulfonothioic acid, S-(4-chlorophenyl) ester?
The molecular formula of Benzenesulfonothioic acid, S-(4-chlorophenyl) ester is C12H9ClO2S2.
What is the molecular weight of Benzenesulfonothioic acid, S-(4-chlorophenyl) ester?
The molecular weight of Benzenesulfonothioic acid, S-(4-chlorophenyl) ester is 283.97 g/mol.
Where can I buy Benzenesulfonothioic acid, S-(4-chlorophenyl) ester?
You can request a quote for Benzenesulfonothioic acid, S-(4-chlorophenyl) 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, S-(4-chlorophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonothioic acid, S-(4-chlorophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.