4-Methylthio-1,1-dioxothiolan-3-yl acetate
TL;DR: 4-Methylthio-1,1-dioxothiolan-3-yl acetate (CAS 163775-91-5) is a chemical compound with molecular formula C7H12O4S2 and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylsulfanyl-1,1-dioxothiolan-3-yl) acetate
Also Known As: 4-methylthio-1,1-dioxothiolan-3-yl acetate, (4-methylsulfanyl-1,1-dioxothiolan-3-yl) acetate, (4-methylsulfanyl-1,1-dioxo-thiolan-3-yl) Acetate, 4-(methylthio)-1,1-dioxidotetrahydro-3-thienyl acetate
| Molecular Formula | C7H12O4S2 |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 0.0781 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.0177 |
| Heavy Atoms | 13 |
| Complexity | 295.6144 |
Chemical Identifiers
| CAS Number | 163775-91-5 |
|---|---|
| SMILES | CC(=O)OC1CS(=O)(=O)CC1SC |
Product Overview
4-Methylthio-1,1-dioxothiolan-3-yl acetate (CAS 163775-91-5), with molecular formula C7H12O4S2 and molecular weight 224.02 g/mol. IUPAC: (4-methylsulfanyl-1,1-dioxothiolan-3-yl) acetate.
Chemical Property Profile of 4-Methylthio-1,1-dioxothiolan-3-yl acetate
Property Insights of 4-Methylthio-1,1-dioxothiolan-3-yl acetate
The XLogP value of 0.0781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylthio-1,1-dioxothiolan-3-yl acetate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylthio-1,1-dioxothiolan-3-yl acetate. Following Lipinski's Rule of Five, 4-Methylthio-1,1-dioxothiolan-3-yl acetate has 0 hydrogen bond donor(s) and 5 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 4-Methylthio-1,1-dioxothiolan-3-yl acetate?
The CAS number of 4-Methylthio-1,1-dioxothiolan-3-yl acetate is 163775-91-5.
What is the molecular formula of 4-Methylthio-1,1-dioxothiolan-3-yl acetate?
The molecular formula of 4-Methylthio-1,1-dioxothiolan-3-yl acetate is C7H12O4S2.
What is the molecular weight of 4-Methylthio-1,1-dioxothiolan-3-yl acetate?
The molecular weight of 4-Methylthio-1,1-dioxothiolan-3-yl acetate is 224.02 g/mol.
Where can I buy 4-Methylthio-1,1-dioxothiolan-3-yl acetate?
You can request a quote for 4-Methylthio-1,1-dioxothiolan-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylthio-1,1-dioxothiolan-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylthio-1,1-dioxothiolan-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.