2,2-Diethylpropane-1,3-dithiol
TL;DR: 2,2-Diethylpropane-1,3-dithiol (CAS 56472-17-4) 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.
2,2-diethylpropane-1,3-dithiol
Also Known As: 2,2-diethylpropane-1,3-dithiol, 2,2-Diethyl-1,3-propanedithiol, 2,2-diethyl-propane-1,3-dithiol, 1,3-Propanedithiol, 2,2-diethyl-, RefChem:243266
| Molecular Formula | C7H16S2 |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 2.6524 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.06934 |
| Heavy Atoms | 9 |
| Complexity | 49.80663 |
Chemical Identifiers
| CAS Number | 56472-17-4 |
|---|---|
| SMILES | CCC(CC)(CS)CS |
Product Overview
2,2-Diethylpropane-1,3-dithiol (CAS 56472-17-4), with molecular formula C7H16S2 and molecular weight 164.07 g/mol. IUPAC: 2,2-diethylpropane-1,3-dithiol.
Chemical Property Profile of 2,2-Diethylpropane-1,3-dithiol
Property Insights of 2,2-Diethylpropane-1,3-dithiol
The XLogP value of 2.6524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Diethylpropane-1,3-dithiol. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2-Diethylpropane-1,3-dithiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Diethylpropane-1,3-dithiol has 2 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 2,2-Diethylpropane-1,3-dithiol?
The CAS number of 2,2-Diethylpropane-1,3-dithiol is 56472-17-4.
What is the molecular formula of 2,2-Diethylpropane-1,3-dithiol?
The molecular formula of 2,2-Diethylpropane-1,3-dithiol is C7H16S2.
What is the molecular weight of 2,2-Diethylpropane-1,3-dithiol?
The molecular weight of 2,2-Diethylpropane-1,3-dithiol is 164.07 g/mol.
Where can I buy 2,2-Diethylpropane-1,3-dithiol?
You can request a quote for 2,2-Diethylpropane-1,3-dithiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diethylpropane-1,3-dithiol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diethylpropane-1,3-dithiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.