![S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate structure](/static/products/108/108518-72-5.png)
S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate
TL;DR: S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate (CAS 108518-72-5) is a chemical compound with molecular formula C9H14O3S3 and molecular weight 266.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate
Also Known As: Thiol esters, 1,2,3-tris(acetylthio)propane, 1,2,3-Tris(acetylthiopropane), NIOSH/AJ7566000, BRL 411
| Molecular Formula | C9H14O3S3 |
|---|---|
| Molecular Weight | 266.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 266.0105 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 108518-72-5 |
|---|---|
| SMILES | CC(=O)SCC(CSC(=O)C)SC(=O)C |
| InChIKey | NBUSQAAQIQWLMN-UHFFFAOYSA-N |
Product Overview
S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate (CAS 108518-72-5), with molecular formula C9H14O3S3 and molecular weight 266.01 g/mol. IUPAC: S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate.
Chemical Property Profile of S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate
Property Insights of S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate. Following Lipinski's Rule of Five, S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate has 0 hydrogen bond donor(s) and 6 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-[2,3-bis(acetylsulfanyl)propyl] ethanethioate?
The CAS number of S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate is 108518-72-5.
What is the molecular formula of S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate?
The molecular formula of S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate is C9H14O3S3.
What is the molecular weight of S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate?
The molecular weight of S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate is 266.01 g/mol.
Where can I buy S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate?
You can request a quote for S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-[2,3-bis(acetylsulfanyl)propyl] ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.