2-(Methylthio)-acetaldehyde diethyl acetal
TL;DR: 2-(Methylthio)-acetaldehyde diethyl acetal (CAS 4819-74-3) is a chemical compound with molecular formula C7H16O2S and molecular weight 164.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diethoxy-2-methylsulfanylethane
Also Known As: 1,1-diethoxy-2-(methylsulfanyl)ethane, C(CSC)(OCC)OCC, 1,1-diethoxy-2-methylsulfanylethane, 1,1-diethoxy-2-methylsulfanyl-ethane, 2-(METHYLTHIO)-ACETALDEHYDE DIETHYL ACETAL
| Molecular Formula | C7H16O2S |
|---|---|
| Molecular Weight | 164.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 164.0871 |
| Heavy Atoms | 10 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 4819-74-3 |
|---|---|
| SMILES | CCOC(CSC)OCC |
| InChIKey | FMRPQNGHKPJXCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylthio)-acetaldehyde diethyl acetal (CAS 4819-74-3), with molecular formula C7H16O2S and molecular weight 164.09 g/mol. IUPAC: 1,1-diethoxy-2-methylsulfanylethane.
Chemical Property Profile of 2-(Methylthio)-acetaldehyde diethyl acetal
Property Insights of 2-(Methylthio)-acetaldehyde diethyl acetal
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)-acetaldehyde diethyl acetal. With a topological polar surface area (TPSA) of 43.8 Ų, 2-(Methylthio)-acetaldehyde diethyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylthio)-acetaldehyde diethyl acetal has 0 hydrogen bond donor(s) and 3 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 2-(Methylthio)-acetaldehyde diethyl acetal?
The CAS number of 2-(Methylthio)-acetaldehyde diethyl acetal is 4819-74-3.
What is the molecular formula of 2-(Methylthio)-acetaldehyde diethyl acetal?
The molecular formula of 2-(Methylthio)-acetaldehyde diethyl acetal is C7H16O2S.
What is the molecular weight of 2-(Methylthio)-acetaldehyde diethyl acetal?
The molecular weight of 2-(Methylthio)-acetaldehyde diethyl acetal is 164.09 g/mol.
Where can I buy 2-(Methylthio)-acetaldehyde diethyl acetal?
You can request a quote for 2-(Methylthio)-acetaldehyde diethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)-acetaldehyde diethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)-acetaldehyde diethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.