S-Phenyl methanesulfonothioate
TL;DR: S-Phenyl methanesulfonothioate (CAS 119980-33-5) is a chemical compound with molecular formula C7H8O2S2 and molecular weight 188.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methylsulfonylsulfanylbenzene
Also Known As: Phenylmethanethiosulfonate, methylsulfonylsulfanylbenzene, Ph-MTS, S-phenyl methanesulfonothioate, S-Phenyl Methanethiosulfonate
| Molecular Formula | C7H8O2S2 |
|---|---|
| Molecular Weight | 188.00 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.99657 |
| Heavy Atoms | 11 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 119980-33-5 |
|---|---|
| SMILES | CS(=O)(=O)SC1=CC=CC=C1 |
| InChIKey | CCUZKOLVVYXTFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Phenyl methanesulfonothioate (CAS 119980-33-5), with molecular formula C7H8O2S2 and molecular weight 188.00 g/mol. IUPAC: methylsulfonylsulfanylbenzene.
Chemical Property Profile of S-Phenyl methanesulfonothioate
Property Insights of S-Phenyl methanesulfonothioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Phenyl methanesulfonothioate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Phenyl methanesulfonothioate. Following Lipinski's Rule of Five, S-Phenyl methanesulfonothioate 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 methanesulfonothioate?
The CAS number of S-Phenyl methanesulfonothioate is 119980-33-5.
What is the molecular formula of S-Phenyl methanesulfonothioate?
The molecular formula of S-Phenyl methanesulfonothioate is C7H8O2S2.
What is the molecular weight of S-Phenyl methanesulfonothioate?
The molecular weight of S-Phenyl methanesulfonothioate is 188.00 g/mol.
Where can I buy S-Phenyl methanesulfonothioate?
You can request a quote for S-Phenyl methanesulfonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Phenyl methanesulfonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Phenyl methanesulfonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.