3-Methyl-4-thianonane
TL;DR: 3-Methyl-4-thianonane (CAS 66481-75-2) 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.
1-butan-2-ylsulfanylpentane
Also Known As: 3-methyl-4-thianonane, 1-butan-2-ylsulfanylpentane, 1-[(1-Methylpropyl)thio]pentane, 1-[(Butan-2-yl)sulfanyl]pentane
| Molecular Formula | C9H20S |
|---|---|
| Molecular Weight | 160.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.12857 |
| Heavy Atoms | 10 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 66481-75-2 |
|---|---|
| SMILES | CCCCCSC(C)CC |
| InChIKey | VKQVRBILRUNEDJ-UHFFFAOYSA-N |
Product Overview
3-Methyl-4-thianonane (CAS 66481-75-2), with molecular formula C9H20S and molecular weight 160.13 g/mol. IUPAC: 1-butan-2-ylsulfanylpentane.
Chemical Property Profile of 3-Methyl-4-thianonane
Property Insights of 3-Methyl-4-thianonane
The XLogP value of 4.0 indicates that 3-Methyl-4-thianonane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 3-Methyl-4-thianonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-thianonane 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 3-Methyl-4-thianonane?
The CAS number of 3-Methyl-4-thianonane is 66481-75-2.
What is the molecular formula of 3-Methyl-4-thianonane?
The molecular formula of 3-Methyl-4-thianonane is C9H20S.
What is the molecular weight of 3-Methyl-4-thianonane?
The molecular weight of 3-Methyl-4-thianonane is 160.13 g/mol.
Where can I buy 3-Methyl-4-thianonane?
You can request a quote for 3-Methyl-4-thianonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-thianonane?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-thianonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.