2,3-Dimethyl-4-thiaoctane
TL;DR: 2,3-Dimethyl-4-thiaoctane (CAS 66481-80-9) 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.
2-butylsulfanyl-3-methylbutane
Also Known As: 2,3-dimethyl-4-thiaoctane, 2-butylsulfanyl-3-methylbutane, Butane, 2-(butylthio)-3-methyl-, n-butyl 1,2-dimethylpropyl sulfide, 2-(BUTYLSULFANYL)-3-METHYLBUTANE
| Molecular Formula | C9H20S |
|---|---|
| Molecular Weight | 160.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.12857 |
| Heavy Atoms | 10 |
| Complexity | 69.0 |
Chemical Identifiers
| CAS Number | 66481-80-9 |
|---|---|
| SMILES | CCCCSC(C)C(C)C |
| InChIKey | CZKUFTNGZKIOPM-UHFFFAOYSA-N |
Product Overview
2,3-Dimethyl-4-thiaoctane (CAS 66481-80-9), with molecular formula C9H20S and molecular weight 160.13 g/mol. IUPAC: 2-butylsulfanyl-3-methylbutane.
Chemical Property Profile of 2,3-Dimethyl-4-thiaoctane
Property Insights of 2,3-Dimethyl-4-thiaoctane
The XLogP value of 3.9 indicates that 2,3-Dimethyl-4-thiaoctane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2,3-Dimethyl-4-thiaoctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethyl-4-thiaoctane 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 2,3-Dimethyl-4-thiaoctane?
The CAS number of 2,3-Dimethyl-4-thiaoctane is 66481-80-9.
What is the molecular formula of 2,3-Dimethyl-4-thiaoctane?
The molecular formula of 2,3-Dimethyl-4-thiaoctane is C9H20S.
What is the molecular weight of 2,3-Dimethyl-4-thiaoctane?
The molecular weight of 2,3-Dimethyl-4-thiaoctane is 160.13 g/mol.
Where can I buy 2,3-Dimethyl-4-thiaoctane?
You can request a quote for 2,3-Dimethyl-4-thiaoctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethyl-4-thiaoctane?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethyl-4-thiaoctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.