庚基甲基硫醚
TL;DR: 庚基甲基硫醚 (CAS 20291-61-6) is a chemical compound with molecular formula C8H18S and molecular weight 146.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
庚基甲基硫醚
1-methylsulfanylheptane
Also Known As: Heptyl methyl sulfide, Methyl heptyl sulfide, Methyl heptanethiol, n-Heptyl methyl sulfide, 1-methylsulfanylheptane
| Molecular Formula | C8H18S |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 146.11292 |
| Heavy Atoms | 9 |
| Complexity | 43.0 |
Chemical Identifiers
| CAS Number | 20291-61-6 |
|---|---|
| SMILES | CCCCCCCSC |
| InChIKey | FJDWJOQOEZRIDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
庚基甲基硫醚 (CAS 20291-61-6), with molecular formula C8H18S and molecular weight 146.11 g/mol. IUPAC: 1-methylsulfanylheptane.
Chemical Property Profile of 庚基甲基硫醚
Property Insights of 庚基甲基硫醚
The XLogP value of 4.2 indicates that 庚基甲基硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 庚基甲基硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 庚基甲基硫醚 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 庚基甲基硫醚?
The CAS number of 庚基甲基硫醚 is 20291-61-6.
What is the molecular formula of 庚基甲基硫醚?
The molecular formula of 庚基甲基硫醚 is C8H18S.
What is the molecular weight of 庚基甲基硫醚?
The molecular weight of 庚基甲基硫醚 is 146.11 g/mol.
Where can I buy 庚基甲基硫醚?
You can request a quote for 庚基甲基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 庚基甲基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 庚基甲基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.