Allyl N-hexyl sulfide
TL;DR: Allyl N-hexyl sulfide (CAS 18365-70-3) is a chemical compound with molecular formula C9H18S and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-enylsulfanylhexane
Also Known As: Allylhexyl sulfide, Hexylallyl sulfide, ALLYL N-HEXYL SULFIDE, 1-(Allylthio)hexane, ALLYL N-HEXYL SULPHIDE
| Molecular Formula | C9H18S |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 3.4859 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 158.11292 |
| Heavy Atoms | 10 |
| Complexity | 69.12852 |
Chemical Identifiers
| CAS Number | 18365-70-3 |
|---|---|
| SMILES | CCCCCCSCC=C |
Product Overview
Allyl N-hexyl sulfide (CAS 18365-70-3), with molecular formula C9H18S and molecular weight 158.11 g/mol. IUPAC: 1-prop-2-enylsulfanylhexane.
Chemical Property Profile of Allyl N-hexyl sulfide
Property Insights of Allyl N-hexyl sulfide
The XLogP value of 3.4859 indicates that Allyl N-hexyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Allyl N-hexyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl N-hexyl 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 Allyl N-hexyl sulfide?
The CAS number of Allyl N-hexyl sulfide is 18365-70-3.
What is the molecular formula of Allyl N-hexyl sulfide?
The molecular formula of Allyl N-hexyl sulfide is C9H18S.
What is the molecular weight of Allyl N-hexyl sulfide?
The molecular weight of Allyl N-hexyl sulfide is 158.11 g/mol.
Where can I buy Allyl N-hexyl sulfide?
You can request a quote for Allyl N-hexyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl N-hexyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Allyl N-hexyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.