Diallyl Trisulfide
TL;DR: Diallyl Trisulfide (CAS 2050-87-5) is a chemical compound with molecular formula C6H10S3 and molecular weight 177.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(prop-2-enyltrisulfanyl)prop-1-ene
Also Known As: Diallyl trisulfide, Allitridin, ALLYL TRISULFIDE, Diallyltrisulfide, allitridum
| Molecular Formula | C6H10S3 |
|---|---|
| Molecular Weight | 177.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 177.99446 |
| Heavy Atoms | 9 |
| Complexity | 70.0 |
| Boiling Point | 112.00 to 120.00 °C. @ 16.00 mm Hg |
| Density | 1.135-1.170 |
| Solubility | insoluble in water and alcohol; miscible with ether |
| Refractive Index | 1.600-1.620 |
Chemical Identifiers
| CAS Number | 2050-87-5 |
|---|---|
| SMILES | C=CCSSSCC=C |
| InChIKey | UBAXRAHSPKWNCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diallyl Trisulfide (CAS 2050-87-5), with molecular formula C6H10S3 and molecular weight 177.99 g/mol. IUPAC: 3-(prop-2-enyltrisulfanyl)prop-1-ene.
Chemical Property Profile of Diallyl Trisulfide
Property Insights of Diallyl Trisulfide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallyl Trisulfide. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diallyl Trisulfide. Following Lipinski's Rule of Five, Diallyl Trisulfide 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 Diallyl Trisulfide?
The CAS number of Diallyl Trisulfide is 2050-87-5.
What is the molecular formula of Diallyl Trisulfide?
The molecular formula of Diallyl Trisulfide is C6H10S3.
What is the molecular weight of Diallyl Trisulfide?
The molecular weight of Diallyl Trisulfide is 177.99 g/mol.
Where can I buy Diallyl Trisulfide?
You can request a quote for Diallyl Trisulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallyl Trisulfide?
Yes, KEHONG BIO provides custom synthesis services for Diallyl Trisulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.