S-Phenyl benzenethiosulphonate
TL;DR: S-Phenyl benzenethiosulphonate (CAS 1212-08-4) is a chemical compound with molecular formula C12H10O2S2 and molecular weight 250.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzenesulfonylsulfanylbenzene
Also Known As: S-Phenyl benzenethiosulfonate, S-Phenyl benzenesulfonothioate, benzenesulfonylsulfanylbenzene, Phenyl phenylthio sulfone, Benzenesulfonothioic acid, S-phenyl ester
| Molecular Formula | C12H10O2S2 |
|---|---|
| Molecular Weight | 250.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.01222 |
| Heavy Atoms | 16 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 1212-08-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | ATKJLMWDXASAJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Phenyl benzenethiosulphonate (CAS 1212-08-4), with molecular formula C12H10O2S2 and molecular weight 250.01 g/mol. IUPAC: benzenesulfonylsulfanylbenzene.
Chemical Property Profile of S-Phenyl benzenethiosulphonate
Property Insights of S-Phenyl benzenethiosulphonate
The XLogP value of 3.2 indicates that S-Phenyl benzenethiosulphonate 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 S-Phenyl benzenethiosulphonate. Following Lipinski's Rule of Five, S-Phenyl benzenethiosulphonate 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 S-Phenyl benzenethiosulphonate?
The CAS number of S-Phenyl benzenethiosulphonate is 1212-08-4.
What is the molecular formula of S-Phenyl benzenethiosulphonate?
The molecular formula of S-Phenyl benzenethiosulphonate is C12H10O2S2.
What is the molecular weight of S-Phenyl benzenethiosulphonate?
The molecular weight of S-Phenyl benzenethiosulphonate is 250.01 g/mol.
Where can I buy S-Phenyl benzenethiosulphonate?
You can request a quote for S-Phenyl benzenethiosulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Phenyl benzenethiosulphonate?
Yes, KEHONG BIO provides custom synthesis services for S-Phenyl benzenethiosulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.