Propyl propenyl sulfide
TL;DR: Propyl propenyl sulfide (CAS 37981-34-3) is a chemical compound with molecular formula C6H12S and molecular weight 116.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-1-enylsulfanylpropane
Also Known As: Allylpropylsulfide, Propenyl propyl sulfide, 1-Propenyl propyl sulfide, PROPYL PROPENYL SULFIDE, 1-[[(E)-prop-1-enyl]thio]propane
| Molecular Formula | C6H12S |
|---|---|
| Molecular Weight | 116.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.06597 |
| Heavy Atoms | 7 |
| Complexity | 48.0 |
Chemical Identifiers
| CAS Number | 37981-34-3 |
|---|---|
| SMILES | CCCSC=CC |
| InChIKey | RKVNNVDQIVWRNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl propenyl sulfide (CAS 37981-34-3), with molecular formula C6H12S and molecular weight 116.07 g/mol. IUPAC: 1-prop-1-enylsulfanylpropane.
Chemical Property Profile of Propyl propenyl sulfide
Property Insights of Propyl propenyl sulfide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl propenyl sulfide. With a topological polar surface area (TPSA) of 25.3 Ų, Propyl propenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl propenyl 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 Propyl propenyl sulfide?
The CAS number of Propyl propenyl sulfide is 37981-34-3.
What is the molecular formula of Propyl propenyl sulfide?
The molecular formula of Propyl propenyl sulfide is C6H12S.
What is the molecular weight of Propyl propenyl sulfide?
The molecular weight of Propyl propenyl sulfide is 116.07 g/mol.
Where can I buy Propyl propenyl sulfide?
You can request a quote for Propyl propenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl propenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Propyl propenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.