3-甲硫基丙醛
TL;DR: 3-甲硫基丙醛 (CAS 3268-49-3) is a chemical compound with molecular formula C4H8OS and molecular weight 104.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲硫基丙醛
3-methylsulfanylpropanal
Also Known As: Methional, 3-(Methylthio)propionaldehyde, 3-(METHYLTHIO)PROPANAL, 4-Thiapentanal, Propanal, 3-(methylthio)-
| Molecular Formula | C4H8OS |
|---|---|
| Molecular Weight | 104.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 104.02959 |
| Heavy Atoms | 6 |
| Complexity | 36.0 |
| Melting Point | -75 °C |
| Boiling Point | BP: 62 °C at 11 mm Hg |
| Density | Relative density (water = 1): 1.03 |
| Solubility | In water, 16.3% vol at 25 °C, pH 7 |
| Flash Point | 61.1 °C (NFPA, 2010) |
| Vapor Pressure | 0.75 [mmHg] |
| Refractive Index | Refractive index: 1.482-1.493 |
| GHS Signal | Danger |
| H-Statements | H302 + H332, H311, H315, H317, H318, H412 |
Chemical Identifiers
| CAS Number | 3268-49-3 |
|---|---|
| SMILES | CSCCC=O |
| InChIKey | CLUWOWRTHNNBBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲硫基丙醛 (CAS 3268-49-3), with molecular formula C4H8OS and molecular weight 104.03 g/mol. IUPAC: 3-methylsulfanylpropanal.
Chemical Property Profile of 3-甲硫基丙醛
Property Insights of 3-甲硫基丙醛
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲硫基丙醛. With a topological polar surface area (TPSA) of 42.4 Ų, 3-甲硫基丙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 3-甲硫基丙醛?
The CAS number of 3-甲硫基丙醛 is 3268-49-3.
What is the molecular formula of 3-甲硫基丙醛?
The molecular formula of 3-甲硫基丙醛 is C4H8OS.
What is the molecular weight of 3-甲硫基丙醛?
The molecular weight of 3-甲硫基丙醛 is 104.03 g/mol.
Where can I buy 3-甲硫基丙醛?
You can request a quote for 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 3-甲硫基丙醛?
Yes, KEHONG BIO provides custom synthesis services for 3-甲硫基丙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.