Propenyl propyl trisulfide
TL;DR: Propenyl propyl trisulfide (CAS 23838-27-9) is a chemical compound with molecular formula C6H12S3 and molecular weight 180.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(prop-1-enyltrisulfanyl)propane
Also Known As: Propenyl propyl trisulfide, (E)-propenyl propyl trisulfide, (z)-propenyl propyl trisulfide
| Molecular Formula | C6H12S3 |
|---|---|
| Molecular Weight | 180.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.01012 |
| Heavy Atoms | 9 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 23838-27-9 |
|---|---|
| SMILES | CCCSSSC=CC |
| InChIKey | CKVNYTRYOFXVGM-UHFFFAOYSA-N |
Product Overview
Propenyl propyl trisulfide (CAS 23838-27-9), with molecular formula C6H12S3 and molecular weight 180.01 g/mol. IUPAC: 1-(prop-1-enyltrisulfanyl)propane.
Chemical Property Profile of Propenyl propyl trisulfide
Property Insights of Propenyl propyl trisulfide
The XLogP value of 3.0 indicates that Propenyl propyl trisulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Propenyl propyl trisulfide. Following Lipinski's Rule of Five, Propenyl propyl 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 Propenyl propyl trisulfide?
The CAS number of Propenyl propyl trisulfide is 23838-27-9.
What is the molecular formula of Propenyl propyl trisulfide?
The molecular formula of Propenyl propyl trisulfide is C6H12S3.
What is the molecular weight of Propenyl propyl trisulfide?
The molecular weight of Propenyl propyl trisulfide is 180.01 g/mol.
Where can I buy Propenyl propyl trisulfide?
You can request a quote for Propenyl propyl trisulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propenyl propyl trisulfide?
Yes, KEHONG BIO provides custom synthesis services for Propenyl propyl trisulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.