1-(Methylsulfanyl)hexane
TL;DR: 1-(Methylsulfanyl)hexane (CAS 20291-60-5) is a chemical compound with molecular formula C7H16S and molecular weight 132.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanylhexane
Also Known As: n-Hexyl methyl sulfide, Hexane, 1-(methylthio)-, 1-(Methylsulfanyl)hexane, 2-Thiaoctane, 1-methylsulfanylhexane
| Molecular Formula | C7H16S |
|---|---|
| Molecular Weight | 132.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 132.09727 |
| Heavy Atoms | 8 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 20291-60-5 |
|---|---|
| SMILES | CCCCCCSC |
| InChIKey | LZRXQHHKXDXOIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Methylsulfanyl)hexane (CAS 20291-60-5), with molecular formula C7H16S and molecular weight 132.10 g/mol. IUPAC: 1-methylsulfanylhexane.
Chemical Property Profile of 1-(Methylsulfanyl)hexane
Property Insights of 1-(Methylsulfanyl)hexane
The XLogP value of 3.2 indicates that 1-(Methylsulfanyl)hexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1-(Methylsulfanyl)hexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Methylsulfanyl)hexane 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 1-(Methylsulfanyl)hexane?
The CAS number of 1-(Methylsulfanyl)hexane is 20291-60-5.
What is the molecular formula of 1-(Methylsulfanyl)hexane?
The molecular formula of 1-(Methylsulfanyl)hexane is C7H16S.
What is the molecular weight of 1-(Methylsulfanyl)hexane?
The molecular weight of 1-(Methylsulfanyl)hexane is 132.10 g/mol.
Where can I buy 1-(Methylsulfanyl)hexane?
You can request a quote for 1-(Methylsulfanyl)hexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Methylsulfanyl)hexane?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methylsulfanyl)hexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.