S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate
TL;DR: S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate (CAS 77414-19-8) is a chemical compound with molecular formula C20H26OS2 and molecular weight 346.14 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)sulfinylsulfanylbenzene
Also Known As: 1-tert-butyl-4-(4-tert-butylphenyl)sulfinylsulfanylbenzene, S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate
| Molecular Formula | C20H26OS2 |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.14252 |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 77414-19-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)SS(=O)C2=CC=C(C=C2)C(C)(C)C |
| InChIKey | YVCXEZCLVPSDBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate (CAS 77414-19-8), with molecular formula C20H26OS2 and molecular weight 346.14 g/mol. IUPAC: 1-tert-butyl-4-(4-tert-butylphenyl)sulfinylsulfanylbenzene.
Chemical Property Profile of S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate
Property Insights of S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate
The XLogP value of 6.5 indicates that S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate. Following Lipinski's Rule of Five, S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate 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-butylbenzene-1-sulfinothioate?
The CAS number of S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate is 77414-19-8.
What is the molecular formula of S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate?
The molecular formula of S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate is C20H26OS2.
What is the molecular weight of S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate?
The molecular weight of S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate is 346.14 g/mol.
Where can I buy S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate?
You can request a quote for S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate 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-butylbenzene-1-sulfinothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-tert-Butylphenyl) 4-tert-butylbenzene-1-sulfinothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.