Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate
TL;DR: Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate (CAS 85366-02-5) is a chemical compound with molecular formula C14H18O5S3 and molecular weight 362.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[3-acetylsulfanyl-2-(4-methylphenyl)sulfonyloxypropyl] ethanethioate
Also Known As: Thiol esters, ACETIC ACID, THIO-, S,S'-(2-HYDROXYTRIMETHYLENE) ESTER, p-TOLUENESULFONATE, 1,3-Dimercapto-2-propanol 1,3-diacetate 2-(p-toluenesulfonate), 2-Propanol, 1,3-dimercapto-, 1,3-diacetate 2-(p-toluenesulfonate), Ethanethioic acid, S,S'-(2-(((4-methylphenyl)sulfonyl)oxy)-1,3-propanediyl) ester
| Molecular Formula | C14H18O5S3 |
|---|---|
| Molecular Weight | 362.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 362.03165 |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 85366-02-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC(CSC(=O)C)CSC(=O)C |
| InChIKey | UYONYIDFTVVHJA-UHFFFAOYSA-N |
Product Overview
Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate (CAS 85366-02-5), with molecular formula C14H18O5S3 and molecular weight 362.03 g/mol. IUPAC: S-[3-acetylsulfanyl-2-(4-methylphenyl)sulfonyloxypropyl] ethanethioate.
Chemical Property Profile of Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate
Property Insights of Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate. Following Lipinski's Rule of Five, Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate has 0 hydrogen bond donor(s) and 7 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 Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate?
The CAS number of Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate is 85366-02-5.
What is the molecular formula of Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate?
The molecular formula of Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate is C14H18O5S3.
What is the molecular weight of Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate?
The molecular weight of Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate is 362.03 g/mol.
Where can I buy Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate?
You can request a quote for Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.