S-(2-acetylsulfanylethenyl) ethanethioate
TL;DR: S-(2-acetylsulfanylethenyl) ethanethioate (CAS 6633-84-7) is a chemical compound with molecular formula C6H8O2S2 and molecular weight 176.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-acetylsulfanylethenyl) ethanethioate
Also Known As: S-(2-acetylsulfanylethenyl) ethanethioate, S-[(Z)-2-acetylsulfanylethenyl] ethanethioate
| Molecular Formula | C6H8O2S2 |
|---|---|
| Molecular Weight | 176.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.99657 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 6633-84-7 |
|---|---|
| SMILES | CC(=O)SC=CSC(=O)C |
| InChIKey | XSCDKUMPSUIJIR-UHFFFAOYSA-N |
Product Overview
S-(2-acetylsulfanylethenyl) ethanethioate (CAS 6633-84-7), with molecular formula C6H8O2S2 and molecular weight 176.00 g/mol. IUPAC: S-(2-acetylsulfanylethenyl) ethanethioate.
Chemical Property Profile of S-(2-acetylsulfanylethenyl) ethanethioate
Property Insights of S-(2-acetylsulfanylethenyl) ethanethioate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-acetylsulfanylethenyl) ethanethioate. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-acetylsulfanylethenyl) ethanethioate. Following Lipinski's Rule of Five, S-(2-acetylsulfanylethenyl) ethanethioate 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-(2-acetylsulfanylethenyl) ethanethioate?
The CAS number of S-(2-acetylsulfanylethenyl) ethanethioate is 6633-84-7.
What is the molecular formula of S-(2-acetylsulfanylethenyl) ethanethioate?
The molecular formula of S-(2-acetylsulfanylethenyl) ethanethioate is C6H8O2S2.
What is the molecular weight of S-(2-acetylsulfanylethenyl) ethanethioate?
The molecular weight of S-(2-acetylsulfanylethenyl) ethanethioate is 176.00 g/mol.
Where can I buy S-(2-acetylsulfanylethenyl) ethanethioate?
You can request a quote for S-(2-acetylsulfanylethenyl) 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-acetylsulfanylethenyl) ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-acetylsulfanylethenyl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.