S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate
TL;DR: S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate (CAS 19552-97-7) is a chemical compound with molecular formula C10H14N2O4S2 and molecular weight 290.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate
Also Known As: S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) et, S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate, S,S'-(1,4-Dimethyl-3,6-dioxopiperazine-2,5-diyl) diethanethioate
| Molecular Formula | C10H14N2O4S2 |
|---|---|
| Molecular Weight | 290.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.0395 |
| Heavy Atoms | 18 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 19552-97-7 |
|---|---|
| SMILES | CC(=O)SC1C(=O)N(C(C(=O)N1C)SC(=O)C)C |
| InChIKey | ZHCFJFXVWQEUHL-UHFFFAOYSA-N |
Product Overview
S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate (CAS 19552-97-7), with molecular formula C10H14N2O4S2 and molecular weight 290.04 g/mol. IUPAC: S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate.
Chemical Property Profile of S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate
Property Insights of S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate. Following Lipinski's Rule of Five, S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-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-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate?
The CAS number of S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate is 19552-97-7.
What is the molecular formula of S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate?
The molecular formula of S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate is C10H14N2O4S2.
What is the molecular weight of S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate?
The molecular weight of S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate is 290.04 g/mol.
Where can I buy S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate?
You can request a quote for S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-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-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.