(Methylthio)acetaldehyde dimethyl acetal
TL;DR: (Methylthio)acetaldehyde dimethyl acetal (CAS 40015-15-4) is a chemical compound with molecular formula C5H12O2S and molecular weight 136.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethoxy-2-methylsulfanylethane
Also Known As: (Methylthio)acetaldehyde dimethyl acetal, 1,1-dimethoxy-2-(methylthio)ethane, (Methylthio)acetaldehydedimethylacetal, 1,1-dimethoxy-2-methylsulfanylethane, 1,1-Dimethoxy-2- ethane
| Molecular Formula | C5H12O2S |
|---|---|
| Molecular Weight | 136.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 136.0558 |
| Heavy Atoms | 8 |
| Complexity | 45.0 |
Chemical Identifiers
| CAS Number | 40015-15-4 |
|---|---|
| SMILES | COC(CSC)OC |
| InChIKey | DVOAQLUDKIFSNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Methylthio)acetaldehyde dimethyl acetal (CAS 40015-15-4), with molecular formula C5H12O2S and molecular weight 136.06 g/mol. IUPAC: 1,1-dimethoxy-2-methylsulfanylethane.
Chemical Property Profile of (Methylthio)acetaldehyde dimethyl acetal
Property Insights of (Methylthio)acetaldehyde dimethyl acetal
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Methylthio)acetaldehyde dimethyl acetal. With a topological polar surface area (TPSA) of 43.8 Ų, (Methylthio)acetaldehyde dimethyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Methylthio)acetaldehyde dimethyl 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 (Methylthio)acetaldehyde dimethyl acetal?
The CAS number of (Methylthio)acetaldehyde dimethyl acetal is 40015-15-4.
What is the molecular formula of (Methylthio)acetaldehyde dimethyl acetal?
The molecular formula of (Methylthio)acetaldehyde dimethyl acetal is C5H12O2S.
What is the molecular weight of (Methylthio)acetaldehyde dimethyl acetal?
The molecular weight of (Methylthio)acetaldehyde dimethyl acetal is 136.06 g/mol.
Where can I buy (Methylthio)acetaldehyde dimethyl acetal?
You can request a quote for (Methylthio)acetaldehyde dimethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Methylthio)acetaldehyde dimethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for (Methylthio)acetaldehyde dimethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.