2-Methyl-4,5-dithiaoctane
TL;DR: 2-Methyl-4,5-dithiaoctane (CAS 72437-65-1) is a chemical compound with molecular formula C7H16S2 and molecular weight 164.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-(propyldisulfanyl)propane
Also Known As: 2-methyl-4,5-dithiaoctane, isobutyl propanyl disulphide, 2-methylpropyl propyl disulfide, 2-methyl-1-(propyldisulfanyl)propane
| Molecular Formula | C7H16S2 |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 164.06934 |
| Heavy Atoms | 9 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 72437-65-1 |
|---|---|
| SMILES | CCCSSCC(C)C |
| InChIKey | HVGHHLZPNWMSLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-4,5-dithiaoctane (CAS 72437-65-1), with molecular formula C7H16S2 and molecular weight 164.07 g/mol. IUPAC: 2-methyl-1-(propyldisulfanyl)propane.
Chemical Property Profile of 2-Methyl-4,5-dithiaoctane
Property Insights of 2-Methyl-4,5-dithiaoctane
The XLogP value of 3.1 indicates that 2-Methyl-4,5-dithiaoctane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 2-Methyl-4,5-dithiaoctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4,5-dithiaoctane has 0 hydrogen bond donor(s) and 2 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-Methyl-4,5-dithiaoctane?
The CAS number of 2-Methyl-4,5-dithiaoctane is 72437-65-1.
What is the molecular formula of 2-Methyl-4,5-dithiaoctane?
The molecular formula of 2-Methyl-4,5-dithiaoctane is C7H16S2.
What is the molecular weight of 2-Methyl-4,5-dithiaoctane?
The molecular weight of 2-Methyl-4,5-dithiaoctane is 164.07 g/mol.
Where can I buy 2-Methyl-4,5-dithiaoctane?
You can request a quote for 2-Methyl-4,5-dithiaoctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4,5-dithiaoctane?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4,5-dithiaoctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.