S-Benzyl benzenesulfonothioate
TL;DR: S-Benzyl benzenesulfonothioate (CAS 16601-01-7) is a chemical compound with molecular formula C13H12O2S2 and molecular weight 264.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzenesulfonylsulfanylmethylbenzene
Also Known As: S-Benzyl benzenesulfonothioate, S-Benzyl benzenesulfonothioate #, benzenesulfonylsulfanylmethylbenzene, Benzenethiosulfonic acid S-benzyl ester, {[(benzenesulfonyl)sulfanyl]methyl}benzene
| Molecular Formula | C13H12O2S2 |
|---|---|
| Molecular Weight | 264.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.02786 |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 16601-01-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | SCHZXZPFGJTWJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Benzyl benzenesulfonothioate (CAS 16601-01-7), with molecular formula C13H12O2S2 and molecular weight 264.03 g/mol. IUPAC: benzenesulfonylsulfanylmethylbenzene.
Chemical Property Profile of S-Benzyl benzenesulfonothioate
Property Insights of S-Benzyl benzenesulfonothioate
The XLogP value of 3.1 indicates that S-Benzyl benzenesulfonothioate 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-Benzyl benzenesulfonothioate. Following Lipinski's Rule of Five, S-Benzyl benzenesulfonothioate 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-Benzyl benzenesulfonothioate?
The CAS number of S-Benzyl benzenesulfonothioate is 16601-01-7.
What is the molecular formula of S-Benzyl benzenesulfonothioate?
The molecular formula of S-Benzyl benzenesulfonothioate is C13H12O2S2.
What is the molecular weight of S-Benzyl benzenesulfonothioate?
The molecular weight of S-Benzyl benzenesulfonothioate is 264.03 g/mol.
Where can I buy S-Benzyl benzenesulfonothioate?
You can request a quote for S-Benzyl benzenesulfonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Benzyl benzenesulfonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Benzyl benzenesulfonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.