烯丙基甲基二硫醚
TL;DR: 烯丙基甲基二硫醚 (CAS 2179-58-0) is a chemical compound with molecular formula C4H8S2 and molecular weight 120.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烯丙基甲基二硫醚
3-(methyldisulfanyl)prop-1-ene
Also Known As: Methyl allyl disulfide, ALLYL METHYL DISULFIDE, Allyl methyl disulphide, 3-(methyldisulfanyl)prop-1-ene, Methyl 2-propenyl disulfide
| Molecular Formula | C4H8S2 |
|---|---|
| Molecular Weight | 120.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.006744 |
| Heavy Atoms | 6 |
| Complexity | 34.0 |
| Boiling Point | 30.00 to 33.00 °C. @ 20.00 mm Hg |
| Density | 0.927-0.933 |
| Solubility | slightly |
| Refractive Index | 1.533- 1.535 |
Chemical Identifiers
| CAS Number | 2179-58-0 |
|---|---|
| SMILES | CSSCC=C |
| InChIKey | XNZOTQPMYMCTBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
烯丙基甲基二硫醚 (CAS 2179-58-0), with molecular formula C4H8S2 and molecular weight 120.01 g/mol. IUPAC: 3-(methyldisulfanyl)prop-1-ene.
Chemical Property Profile of 烯丙基甲基二硫醚
Property Insights of 烯丙基甲基二硫醚
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 烯丙基甲基二硫醚. With a topological polar surface area (TPSA) of 50.6 Ų, 烯丙基甲基二硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 烯丙基甲基二硫醚 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 烯丙基甲基二硫醚?
The CAS number of 烯丙基甲基二硫醚 is 2179-58-0.
What is the molecular formula of 烯丙基甲基二硫醚?
The molecular formula of 烯丙基甲基二硫醚 is C4H8S2.
What is the molecular weight of 烯丙基甲基二硫醚?
The molecular weight of 烯丙基甲基二硫醚 is 120.01 g/mol.
Where can I buy 烯丙基甲基二硫醚?
You can request a quote for 烯丙基甲基二硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烯丙基甲基二硫醚?
Yes, KEHONG BIO provides custom synthesis services for 烯丙基甲基二硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.