![Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate structure](/static/products/3270/327079-17-4.webp)
Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate
TL;DR: Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate (CAS 327079-17-4) is a chemical compound with molecular formula C9H15NO4S3 and molecular weight 297.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1,1-dioxothiolan-3-yl)-methylcarbamothioyl]sulfanylacetate
Also Known As: methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate, methyl {[(1,1-dioxidotetrahydrothiophen-3-yl)(methyl)carbamothioyl]sulfanyl}acetate, methyl 2-[(1,1-dioxothiolan-3-yl)-methylcarbamothioyl]sulfanylacetate, methyl 2-(((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)carbamothioyl)thio)acetate
| Molecular Formula | C9H15NO4S3 |
|---|---|
| Molecular Weight | 297.02 g/mol |
| LogP | 0.2964 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.01633 |
| Heavy Atoms | 17 |
| Complexity | 406.46402 |
Chemical Identifiers
| CAS Number | 327079-17-4 |
|---|---|
| SMILES | CN(C1CCS(=O)(=O)C1)C(=S)SCC(=O)OC |
Product Overview
Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate (CAS 327079-17-4), with molecular formula C9H15NO4S3 and molecular weight 297.02 g/mol. IUPAC: methyl 2-[(1,1-dioxothiolan-3-yl)-methylcarbamothioyl]sulfanylacetate.
Chemical Property Profile of Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate
Property Insights of Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate
The XLogP value of 0.2964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate. Following Lipinski's Rule of Five, Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate 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 Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate?
The CAS number of Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate is 327079-17-4.
What is the molecular formula of Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate?
The molecular formula of Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate is C9H15NO4S3.
What is the molecular weight of Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate?
The molecular weight of Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate is 297.02 g/mol.
Where can I buy Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate?
You can request a quote for Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(1,1-dioxothiolan-3-yl)methylamino]thioxomethylthio}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.