Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide
TL;DR: Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide (CAS 16601-12-0) is a chemical compound with molecular formula C14H14O4S3 and molecular weight 342.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(4-methylphenyl)sulfonylsulfanylsulfonylbenzene
Also Known As: bis(p-tolylsulfonyl)sulfid, Bis(p-tolylsulfonyl) sulfide, Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide, Bis(4-methylphenylsulfonyl) sulfide, p-Toluenesulfonic acid, anhydrosulfide
| Molecular Formula | C14H14O4S3 |
|---|---|
| Molecular Weight | 342.01 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.00543 |
| Heavy Atoms | 21 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 16601-12-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)SS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | JZKYIJCJUSVGEW-UHFFFAOYSA-N |
Product Overview
Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide (CAS 16601-12-0), with molecular formula C14H14O4S3 and molecular weight 342.01 g/mol. IUPAC: 1-methyl-4-(4-methylphenyl)sulfonylsulfanylsulfonylbenzene.
Chemical Property Profile of Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide
Property Insights of Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide
The XLogP value of 3.5 indicates that Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide. Following Lipinski's Rule of Five, Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide has 0 hydrogen bond donor(s) and 5 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 Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide?
The CAS number of Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide is 16601-12-0.
What is the molecular formula of Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide?
The molecular formula of Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide is C14H14O4S3.
What is the molecular weight of Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide?
The molecular weight of Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide is 342.01 g/mol.
Where can I buy Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide?
You can request a quote for Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.