甲基辛基硫醚
TL;DR: 甲基辛基硫醚 (CAS 3698-95-1) is a chemical compound with molecular formula C9H20S and molecular weight 160.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基辛基硫醚
1-methylsulfanyloctane
Also Known As: Methyl n-octyl sulfide, methyl octyl sulfide, 1-methylsulfanyloctane, methyl(octyl)sulfane, Octyl methyl sulfide
| Molecular Formula | C9H20S |
|---|---|
| Molecular Weight | 160.13 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 160.12857 |
| Heavy Atoms | 10 |
| Complexity | 52.0 |
| Density | 0.840-0.860 (20°) |
| Solubility | Soluble in water |
| Refractive Index | 1.445-1.465 |
Chemical Identifiers
| CAS Number | 3698-95-1 |
|---|---|
| SMILES | CCCCCCCCSC |
| InChIKey | AHCJTMBRROLNHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基辛基硫醚 (CAS 3698-95-1), with molecular formula C9H20S and molecular weight 160.13 g/mol. IUPAC: 1-methylsulfanyloctane.
Chemical Property Profile of 甲基辛基硫醚
Property Insights of 甲基辛基硫醚
The XLogP value of 4.8 indicates that 甲基辛基硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 甲基辛基硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基辛基硫醚 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 甲基辛基硫醚?
The CAS number of 甲基辛基硫醚 is 3698-95-1.
What is the molecular formula of 甲基辛基硫醚?
The molecular formula of 甲基辛基硫醚 is C9H20S.
What is the molecular weight of 甲基辛基硫醚?
The molecular weight of 甲基辛基硫醚 is 160.13 g/mol.
Where can I buy 甲基辛基硫醚?
You can request a quote for 甲基辛基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基辛基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 甲基辛基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.