S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate
TL;DR: S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate (CAS 73927-01-2) is a chemical compound with molecular formula C7H9NO3S and molecular weight 187.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(1-methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate
Also Known As: N-Methyl-alpha-(acetylthio)succinimide, S-(1-methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate, Succinimide, 3-mercapto-N-methyl-, thioacetate, 3-ACETYLSULFANYL-1-METHYL-PYRROLIDINE-2,5-DIONE, 3-(ACETYLSULFANYL)-1-METHYLPYRROLIDINE-2,5-DIONE
| Molecular Formula | C7H9NO3S |
|---|---|
| Molecular Weight | 187.03 g/mol |
| LogP | 0.0234 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.03032 |
| Heavy Atoms | 12 |
| Complexity | 249.03604 |
Chemical Identifiers
| CAS Number | 73927-01-2 |
|---|---|
| SMILES | CC(=O)SC1CC(=O)N(C1=O)C |
Product Overview
S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate (CAS 73927-01-2), with molecular formula C7H9NO3S and molecular weight 187.03 g/mol. IUPAC: S-(1-methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate.
Chemical Property Profile of S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate
Property Insights of S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate
The XLogP value of 0.0234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate. With a topological polar surface area (TPSA) of 54.45 Ų, S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) 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-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate?
The CAS number of S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate is 73927-01-2.
What is the molecular formula of S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate?
The molecular formula of S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate is C7H9NO3S.
What is the molecular weight of S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate?
The molecular weight of S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate is 187.03 g/mol.
Where can I buy S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate?
You can request a quote for S-(1-Methyl-2,5-dioxopyrrolidin-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-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.