Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester
TL;DR: Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester (CAS 1142-97-8) is a chemical compound with molecular formula C12H9ClO2S2 and molecular weight 283.97324 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-4-phenylsulfanylsulfonylbenzene
Also Known As: 1-chloro-4-phenylsulfanylsulfonylbenzene, Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester, S-Phenyl 4-chlorobenzenesulfonothioate, Benzenesulfonic acid, p-chlorothio-, S-phenyl ester, S-Phenyl 4-chlorobenzenesulfonothioate #
Technical Specifications
| Molecular Formula | C12H9ClO2S2 |
| Molecular Weight | 283.97324 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.97324 Da |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
| SMILES | C1=CC=C(C=C1)SS(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | OZBQHMNNLSUKDP-UHFFFAOYSA-N |
Chemical Property Profile of Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester
Property Insights of Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester
The XLogP value of 3.8 indicates that Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester. Following Lipinski's Rule of Five, Benzenesulfonothioic acid, 4-chloro-, S-phenyl 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
What is the CAS number of Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester?
The CAS number of Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester is 1142-97-8.
What is the molecular formula of Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester?
The molecular formula of Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester is C12H9ClO2S2.
What is the molecular weight of Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester?
The molecular weight of Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester is 283.97324 g/mol.
Where can I buy Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester?
You can request a quote for Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester?
Yes, CoreyChem provides custom synthesis services for Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.