S-Benzyl 4-methylbenzenesulfonothioate
TL;DR: S-Benzyl 4-methylbenzenesulfonothioate (CAS 16675-64-2) is a chemical compound with molecular formula C14H14O2S2 and molecular weight 278.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfanylsulfonyl-4-methylbenzene
Also Known As: S-Benzyl 4-methylbenzenesulfonothioate, 1-benzylsulfanylsulfonyl-4-methylbenzene, [(4-methylphenyl)sulfonyl]benzylthio, 1-[(benzylsulfanyl)sulfonyl]-4-methylbenzene, S-BENZYL P-TOLUENETHIOSULFONATE
| Molecular Formula | C14H14O2S2 |
|---|---|
| Molecular Weight | 278.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.04352 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 16675-64-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)SCC2=CC=CC=C2 |
| InChIKey | AJHXMWXYVYOBQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Benzyl 4-methylbenzenesulfonothioate (CAS 16675-64-2), with molecular formula C14H14O2S2 and molecular weight 278.04 g/mol. IUPAC: 1-benzylsulfanylsulfonyl-4-methylbenzene.
Chemical Property Profile of S-Benzyl 4-methylbenzenesulfonothioate
Property Insights of S-Benzyl 4-methylbenzenesulfonothioate
The XLogP value of 3.5 indicates that S-Benzyl 4-methylbenzenesulfonothioate 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 4-methylbenzenesulfonothioate. Following Lipinski's Rule of Five, S-Benzyl 4-methylbenzenesulfonothioate 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 4-methylbenzenesulfonothioate?
The CAS number of S-Benzyl 4-methylbenzenesulfonothioate is 16675-64-2.
What is the molecular formula of S-Benzyl 4-methylbenzenesulfonothioate?
The molecular formula of S-Benzyl 4-methylbenzenesulfonothioate is C14H14O2S2.
What is the molecular weight of S-Benzyl 4-methylbenzenesulfonothioate?
The molecular weight of S-Benzyl 4-methylbenzenesulfonothioate is 278.04 g/mol.
Where can I buy S-Benzyl 4-methylbenzenesulfonothioate?
You can request a quote for S-Benzyl 4-methylbenzenesulfonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Benzyl 4-methylbenzenesulfonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Benzyl 4-methylbenzenesulfonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.