S~1~,S~6~-Diphenyl hexanebis(thioate)
TL;DR: S~1~,S~6~-Diphenyl hexanebis(thioate) (CAS 53631-49-5) is a chemical compound with molecular formula C18H18O2S2 and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-S,6-S-diphenyl hexanebis(thioate)
Also Known As: Adipinsaeuredithiophenylester, s1,s6-diphenyl hexanebis(thioate), 1-S,6-S-diphenyl hexanebis(thioate), S~1~,S~6~-Diphenyl hexanebis(thioate), 1,6-bis(phenylsulfanyl)hexane-1,6-dione
| Molecular Formula | C18H18O2S2 |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 330.07483 |
| Heavy Atoms | 22 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 53631-49-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(=O)CCCCC(=O)SC2=CC=CC=C2 |
| InChIKey | VESNZOIGQGPYFP-UHFFFAOYSA-N |
Product Overview
S~1~,S~6~-Diphenyl hexanebis(thioate) (CAS 53631-49-5), with molecular formula C18H18O2S2 and molecular weight 330.07 g/mol. IUPAC: 1-S,6-S-diphenyl hexanebis(thioate).
Chemical Property Profile of S~1~,S~6~-Diphenyl hexanebis(thioate)
Property Insights of S~1~,S~6~-Diphenyl hexanebis(thioate)
The XLogP value of 4.8 indicates that S~1~,S~6~-Diphenyl hexanebis(thioate) 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~6~-Diphenyl hexanebis(thioate). Following Lipinski's Rule of Five, S~1~,S~6~-Diphenyl hexanebis(thioate) has 0 hydrogen bond donor(s) and 4 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~1~,S~6~-Diphenyl hexanebis(thioate)?
The CAS number of S~1~,S~6~-Diphenyl hexanebis(thioate) is 53631-49-5.
What is the molecular formula of S~1~,S~6~-Diphenyl hexanebis(thioate)?
The molecular formula of S~1~,S~6~-Diphenyl hexanebis(thioate) is C18H18O2S2.
What is the molecular weight of S~1~,S~6~-Diphenyl hexanebis(thioate)?
The molecular weight of S~1~,S~6~-Diphenyl hexanebis(thioate) is 330.07 g/mol.
Where can I buy S~1~,S~6~-Diphenyl hexanebis(thioate)?
You can request a quote for S~1~,S~6~-Diphenyl hexanebis(thioate) 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~6~-Diphenyl hexanebis(thioate)?
Yes, KEHONG BIO provides custom synthesis services for S~1~,S~6~-Diphenyl hexanebis(thioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.