Diallyl Sulfide
TL;DR: Diallyl Sulfide (CAS 592-88-1) is a chemical compound with molecular formula C6H10S and molecular weight 114.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enylsulfanylprop-1-ene
Also Known As: DIALLYL SULFIDE, Allyl sulfide, Diallyl sulphide, Oil garlic, Diallyl thioether
| Molecular Formula | C6H10S |
|---|---|
| Molecular Weight | 114.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 114.05032 |
| Heavy Atoms | 7 |
| Complexity | 49.0 |
| Melting Point | -85 °C |
| Boiling Point | 139 °C |
| Density | 0.888 at 27 °C |
| Solubility | Practically insoluble in water. Miscible with alcohol, chloroform, ether, carbon tetrachloride. |
| Flash Point | 46.11 °C |
| Vapor Pressure | 9.22 [mmHg] |
| Refractive Index | = 1.4877 at 27 °C |
Chemical Identifiers
| CAS Number | 592-88-1 |
|---|---|
| SMILES | C=CCSCC=C |
| InChIKey | UBJVUCKUDDKUJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diallyl Sulfide (CAS 592-88-1), with molecular formula C6H10S and molecular weight 114.05 g/mol. IUPAC: 3-prop-2-enylsulfanylprop-1-ene.
Chemical Property Profile of Diallyl Sulfide
Property Insights of Diallyl Sulfide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallyl Sulfide. With a topological polar surface area (TPSA) of 25.3 Ų, Diallyl Sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallyl Sulfide has 0 hydrogen bond donor(s) and 1 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 Diallyl Sulfide?
The CAS number of Diallyl Sulfide is 592-88-1.
What is the molecular formula of Diallyl Sulfide?
The molecular formula of Diallyl Sulfide is C6H10S.
What is the molecular weight of Diallyl Sulfide?
The molecular weight of Diallyl Sulfide is 114.05 g/mol.
Where can I buy Diallyl Sulfide?
You can request a quote for Diallyl Sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallyl Sulfide?
Yes, KEHONG BIO provides custom synthesis services for Diallyl Sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.