3-Ethyl-2,4-dithiapentane
TL;DR: 3-Ethyl-2,4-dithiapentane (CAS 57093-94-4) is a chemical compound with molecular formula C5H12S2 and molecular weight 136.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(methylsulfanyl)propane
Also Known As: 3-ethyl-2,4-dithiapentane, 1,1-bis(methylsulfanyl)propane, propionaldehyde dimethyl thioacetal, Propane, 1,1-bis(methylthio)-, RefChem:279121
| Molecular Formula | C5H12S2 |
|---|---|
| Molecular Weight | 136.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.03804 |
| Heavy Atoms | 7 |
| Complexity | 33.0 |
Chemical Identifiers
| CAS Number | 57093-94-4 |
|---|---|
| SMILES | CCC(SC)SC |
| InChIKey | VKKDPAMHYXBCEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-2,4-dithiapentane (CAS 57093-94-4), with molecular formula C5H12S2 and molecular weight 136.04 g/mol. IUPAC: 1,1-bis(methylsulfanyl)propane.
Chemical Property Profile of 3-Ethyl-2,4-dithiapentane
Property Insights of 3-Ethyl-2,4-dithiapentane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-2,4-dithiapentane. With a topological polar surface area (TPSA) of 50.6 Ų, 3-Ethyl-2,4-dithiapentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2,4-dithiapentane 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 3-Ethyl-2,4-dithiapentane?
The CAS number of 3-Ethyl-2,4-dithiapentane is 57093-94-4.
What is the molecular formula of 3-Ethyl-2,4-dithiapentane?
The molecular formula of 3-Ethyl-2,4-dithiapentane is C5H12S2.
What is the molecular weight of 3-Ethyl-2,4-dithiapentane?
The molecular weight of 3-Ethyl-2,4-dithiapentane is 136.04 g/mol.
Where can I buy 3-Ethyl-2,4-dithiapentane?
You can request a quote for 3-Ethyl-2,4-dithiapentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2,4-dithiapentane?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2,4-dithiapentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.