6-Methyl-3-thiaheptane
TL;DR: 6-Methyl-3-thiaheptane (CAS 66481-77-4) 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-ethylsulfanyl-3-methylbutane
Also Known As: 6-methyl-3-thiaheptane, ethyl isoamyl sulfide, ethylisoamyl sulfide, Ethylisoamylsulfide, 1-ethylsulfanyl-3-methylbutane
| Molecular Formula | C7H16S |
|---|---|
| Molecular Weight | 132.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.09727 |
| Heavy Atoms | 8 |
| Complexity | 41.0 |
Chemical Identifiers
| CAS Number | 66481-77-4 |
|---|---|
| SMILES | CCSCCC(C)C |
| InChIKey | AGKOQHSTPVLJSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methyl-3-thiaheptane (CAS 66481-77-4), with molecular formula C7H16S and molecular weight 132.10 g/mol. IUPAC: 1-ethylsulfanyl-3-methylbutane.
Chemical Property Profile of 6-Methyl-3-thiaheptane
Property Insights of 6-Methyl-3-thiaheptane
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-3-thiaheptane. With a topological polar surface area (TPSA) of 25.3 Ų, 6-Methyl-3-thiaheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-3-thiaheptane 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 6-Methyl-3-thiaheptane?
The CAS number of 6-Methyl-3-thiaheptane is 66481-77-4.
What is the molecular formula of 6-Methyl-3-thiaheptane?
The molecular formula of 6-Methyl-3-thiaheptane is C7H16S.
What is the molecular weight of 6-Methyl-3-thiaheptane?
The molecular weight of 6-Methyl-3-thiaheptane is 132.10 g/mol.
Where can I buy 6-Methyl-3-thiaheptane?
You can request a quote for 6-Methyl-3-thiaheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-3-thiaheptane?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-3-thiaheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.