S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate
TL;DR: S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate (CAS 7073-44-1) is a chemical compound with molecular formula C28H30O2S2 and molecular weight 462.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-S,4-S-bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate
Also Known As: 1-S,4-S-bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate, S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate
| Molecular Formula | C28H30O2S2 |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.16873 |
| Heavy Atoms | 32 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 7073-44-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)C(=O)SC3=CC=C(C=C3)C(C)(C)C |
| InChIKey | JHTXLFCEWJGAPY-UHFFFAOYSA-N |
Product Overview
S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate (CAS 7073-44-1), with molecular formula C28H30O2S2 and molecular weight 462.17 g/mol. IUPAC: 1-S,4-S-bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate.
Chemical Property Profile of S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate
Property Insights of S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate
The XLogP value of 9.2 indicates that S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate. Following Lipinski's Rule of Five, S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate?
The CAS number of S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate is 7073-44-1.
What is the molecular formula of S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate?
The molecular formula of S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate is C28H30O2S2.
What is the molecular weight of S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate?
The molecular weight of S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate is 462.17 g/mol.
Where can I buy S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate?
You can request a quote for S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S~1~,S~4~-Bis(4-tert-butylphenyl) benzene-1,4-dicarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.