S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate
TL;DR: S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate (CAS 201990-26-3) is a chemical compound with molecular formula C8H12O4S3 and molecular weight 267.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate
Also Known As: S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate, S,S'-(1,1-dioxidotetrahydrothiene-3,4-diyl) diethanethioate, Ethanethioic acid, S,S'-(tetrahydro-1,1-dioxido-3,4-thiophenediyl) ester, S,S'-(1,1-Dioxo-1lambda~6~-thiolane-3,4-diyl) diethanethioate, Ethanethioic acid, S,Sa(2)-(tetrahydro-1,1-dioxido-3,4-thiophenediyl) ester
| Molecular Formula | C8H12O4S3 |
|---|---|
| Molecular Weight | 267.99 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.98978 |
| Heavy Atoms | 15 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 201990-26-3 |
|---|---|
| SMILES | CC(=O)SC1CS(=O)(=O)CC1SC(=O)C |
| InChIKey | YXOMJTPNTHKCHW-UHFFFAOYSA-N |
Product Overview
S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate (CAS 201990-26-3), with molecular formula C8H12O4S3 and molecular weight 267.99 g/mol. IUPAC: S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate.
Chemical Property Profile of S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate
Property Insights of S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate. Following Lipinski's Rule of Five, S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) 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-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate?
The CAS number of S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate is 201990-26-3.
What is the molecular formula of S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate?
The molecular formula of S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate is C8H12O4S3.
What is the molecular weight of S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate?
The molecular weight of S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate is 267.99 g/mol.
Where can I buy S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate?
You can request a quote for S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-acetylsulfanyl-1,1-dioxothiolan-3-yl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.