2-甲基-3-(甲硫基)丙醛
TL;DR: 2-甲基-3-(甲硫基)丙醛 (CAS 57041-76-6) is a chemical compound with molecular formula C5H10OS and molecular weight 118.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-3-(甲硫基)丙醛
2-methyl-3-methylsulfanylpropanal
Also Known As: 2-methyl-3- propionaldehyde, 2-methyl-3-(methylsulfanyl)propanal, 2-methyl-3-methylsulfanylpropanal, 2-Methyl-3-(methylthio)propionaldehyde, 2-Methyl-3-(methylthio)propanal
| Molecular Formula | C5H10OS |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.045235 |
| Heavy Atoms | 7 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 57041-76-6 |
|---|---|
| SMILES | CC(CSC)C=O |
| InChIKey | ZLAAGMOVQTVYQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-3-(甲硫基)丙醛 (CAS 57041-76-6), with molecular formula C5H10OS and molecular weight 118.05 g/mol. IUPAC: 2-methyl-3-methylsulfanylpropanal.
Chemical Property Profile of 2-甲基-3-(甲硫基)丙醛
Property Insights of 2-甲基-3-(甲硫基)丙醛
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-3-(甲硫基)丙醛. With a topological polar surface area (TPSA) of 42.4 Ų, 2-甲基-3-(甲硫基)丙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基-3-(甲硫基)丙醛 has 0 hydrogen bond donor(s) and 2 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-甲基-3-(甲硫基)丙醛?
The CAS number of 2-甲基-3-(甲硫基)丙醛 is 57041-76-6.
What is the molecular formula of 2-甲基-3-(甲硫基)丙醛?
The molecular formula of 2-甲基-3-(甲硫基)丙醛 is C5H10OS.
What is the molecular weight of 2-甲基-3-(甲硫基)丙醛?
The molecular weight of 2-甲基-3-(甲硫基)丙醛 is 118.05 g/mol.
Where can I buy 2-甲基-3-(甲硫基)丙醛?
You can request a quote for 2-甲基-3-(甲硫基)丙醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-3-(甲硫基)丙醛?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-3-(甲硫基)丙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.