S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate
TL;DR: S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate (CAS 31197-50-9) is a chemical compound with molecular formula C20H26O2S2 and molecular weight 362.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-(4-tert-butylphenyl)sulfonylsulfanylbenzene
Also Known As: Aromatic thiosulfone analog, S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate, J3.241.808B, 1-tert-butyl-4-(4-tert-butylphenyl)sulfonylsulfanylbenzene, p-(tert-Butyl)phenylthio p-(tert-butyl)phenyl sulfone
| Molecular Formula | C20H26O2S2 |
|---|---|
| Molecular Weight | 362.14 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.13742 |
| Heavy Atoms | 24 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 31197-50-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)SS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C |
| InChIKey | LNSCDFKIZQSIQL-UHFFFAOYSA-N |
Product Overview
S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate (CAS 31197-50-9), with molecular formula C20H26O2S2 and molecular weight 362.14 g/mol. IUPAC: 1-tert-butyl-4-(4-tert-butylphenyl)sulfonylsulfanylbenzene.
Chemical Property Profile of S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate
Property Insights of S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate
The XLogP value of 6.5 indicates that S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate 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-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate. Following Lipinski's Rule of Five, S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate?
The CAS number of S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate is 31197-50-9.
What is the molecular formula of S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate?
The molecular formula of S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate is C20H26O2S2.
What is the molecular weight of S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate?
The molecular weight of S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate is 362.14 g/mol.
Where can I buy S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate?
You can request a quote for S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-tert-Butylphenyl) 4-tert-butylbenzenesulfonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.