甲硫醛缩二乙醇
TL;DR: 甲硫醛缩二乙醇 (CAS 16630-61-8) is a chemical compound with molecular formula C8H18O2S and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲硫醛缩二乙醇
1,1-diethoxy-3-methylsulfanylpropane
Also Known As: methional diethyl acetal, Di-Et acetal, 1,1-Diethoxy-3-(methylthio)propane, 1,1-diethoxy-3-methylsulfanylpropane, FEMA NO. 4590
| Molecular Formula | C8H18O2S |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 178.10275 |
| Heavy Atoms | 11 |
| Complexity | 72.0 |
| Boiling Point | 229.00 to 231.00 °C. @ 760.00 mm Hg |
| Density | 0.952-0.958 (20°) |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.447-1.453 |
Chemical Identifiers
| CAS Number | 16630-61-8 |
|---|---|
| SMILES | CCOC(CCSC)OCC |
| InChIKey | FKAZTVDSOBDTFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲硫醛缩二乙醇 (CAS 16630-61-8), with molecular formula C8H18O2S and molecular weight 178.10 g/mol. IUPAC: 1,1-diethoxy-3-methylsulfanylpropane.
Chemical Property Profile of 甲硫醛缩二乙醇
Property Insights of 甲硫醛缩二乙醇
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲硫醛缩二乙醇. With a topological polar surface area (TPSA) of 43.8 Ų, 甲硫醛缩二乙醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲硫醛缩二乙醇 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 甲硫醛缩二乙醇?
The CAS number of 甲硫醛缩二乙醇 is 16630-61-8.
What is the molecular formula of 甲硫醛缩二乙醇?
The molecular formula of 甲硫醛缩二乙醇 is C8H18O2S.
What is the molecular weight of 甲硫醛缩二乙醇?
The molecular weight of 甲硫醛缩二乙醇 is 178.10 g/mol.
Where can I buy 甲硫醛缩二乙醇?
You can request a quote for 甲硫醛缩二乙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲硫醛缩二乙醇?
Yes, KEHONG BIO provides custom synthesis services for 甲硫醛缩二乙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.