3-(Methylthio)hexyl acetate
TL;DR: 3-(Methylthio)hexyl acetate (CAS 51755-85-2) is a chemical compound with molecular formula C9H18O2S and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanylhexyl acetate
Also Known As: 3-(Methylthio)hexyl acetate, 3-methylsulfanylhexyl acetate, null, 3-(Methylsulfanyl)hexyl acetate, 3-methylthiohexylacetat
| Molecular Formula | C9H18O2S |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 190.10275 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
| Density | 0.982-0.990 |
| Solubility | soluble in water and fat |
| Refractive Index | 1.461-1.469 |
Chemical Identifiers
| CAS Number | 51755-85-2 |
|---|---|
| SMILES | CCCC(CCOC(=O)C)SC |
| InChIKey | VIQXICKUKPVFRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methylthio)hexyl acetate (CAS 51755-85-2), with molecular formula C9H18O2S and molecular weight 190.10 g/mol. IUPAC: 3-methylsulfanylhexyl acetate.
Chemical Property Profile of 3-(Methylthio)hexyl acetate
Property Insights of 3-(Methylthio)hexyl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylthio)hexyl acetate. With a topological polar surface area (TPSA) of 51.6 Ų, 3-(Methylthio)hexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methylthio)hexyl acetate 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 3-(Methylthio)hexyl acetate?
The CAS number of 3-(Methylthio)hexyl acetate is 51755-85-2.
What is the molecular formula of 3-(Methylthio)hexyl acetate?
The molecular formula of 3-(Methylthio)hexyl acetate is C9H18O2S.
What is the molecular weight of 3-(Methylthio)hexyl acetate?
The molecular weight of 3-(Methylthio)hexyl acetate is 190.10 g/mol.
Where can I buy 3-(Methylthio)hexyl acetate?
You can request a quote for 3-(Methylthio)hexyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylthio)hexyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylthio)hexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.