4-(Methylthio)-1,1-dioxido-2,3-dihydrothiophen-3-yl acetate
TL;DR: 4-(Methylthio)-1,1-dioxido-2,3-dihydrothiophen-3-yl acetate (CAS 163775-94-8) is a chemical compound with molecular formula C7H10O4S2 and molecular weight 222.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylsulfanyl-1,1-dioxo-2,3-dihydrothiophen-3-yl) acetate
Also Known As: (4-methylsulfanyl-1,1-dioxo-2,3-dihydrothiophen-3-yl) Acetate, 4-(methylthio)-1,1-dioxido-2,3-dihydro-3-thienyl acetate, 4-(methylthio)-1,1-dioxido-2,3-dihydrothiophen-3-yl acetate
| Molecular Formula | C7H10O4S2 |
|---|---|
| Molecular Weight | 222.00 g/mol |
| LogP | 0.5509 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.00204 |
| Heavy Atoms | 13 |
| Complexity | 341.50403 |
Chemical Identifiers
| CAS Number | 163775-94-8 |
|---|---|
| SMILES | CC(=O)OC1CS(=O)(=O)C=C1SC |
Product Overview
4-(Methylthio)-1,1-dioxido-2,3-dihydrothiophen-3-yl acetate (CAS 163775-94-8), with molecular formula C7H10O4S2 and molecular weight 222.00 g/mol. IUPAC: (4-methylsulfanyl-1,1-dioxo-2,3-dihydrothiophen-3-yl) acetate.
Chemical Property Profile of 4-(Methylthio)-1,1-dioxido-2,3-dihydrothiophen-3-yl acetate
Property Insights of 4-(Methylthio)-1,1-dioxido-2,3-dihydrothiophen-3-yl acetate
The XLogP value of 0.5509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylthio)-1,1-dioxido-2,3-dihydrothiophen-3-yl acetate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methylthio)-1,1-dioxido-2,3-dihydrothiophen-3-yl acetate. Following Lipinski's Rule of Five, 4-(Methylthio)-1,1-dioxido-2,3-dihydrothiophen-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-dioxido-2,3-dihydrothiophen-3-yl acetate?
The CAS number of 4-(Methylthio)-1,1-dioxido-2,3-dihydrothiophen-3-yl acetate is 163775-94-8.
What is the molecular formula of 4-(Methylthio)-1,1-dioxido-2,3-dihydrothiophen-3-yl acetate?
The molecular formula of 4-(Methylthio)-1,1-dioxido-2,3-dihydrothiophen-3-yl acetate is C7H10O4S2.
What is the molecular weight of 4-(Methylthio)-1,1-dioxido-2,3-dihydrothiophen-3-yl acetate?
The molecular weight of 4-(Methylthio)-1,1-dioxido-2,3-dihydrothiophen-3-yl acetate is 222.00 g/mol.
Where can I buy 4-(Methylthio)-1,1-dioxido-2,3-dihydrothiophen-3-yl acetate?
You can request a quote for 4-(Methylthio)-1,1-dioxido-2,3-dihydrothiophen-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-dioxido-2,3-dihydrothiophen-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylthio)-1,1-dioxido-2,3-dihydrothiophen-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.