Ethyl butanedithioate
TL;DR: Ethyl butanedithioate (CAS 924-75-4) is a chemical compound with molecular formula C6H12S2 and molecular weight 148.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl butanedithioate
Also Known As: Ethyl butanedithioate, Ethyl butanedithioate #, dithiobutyric acid ethyl ester, Butane(dithioic) acid, ethyl ester
| Molecular Formula | C6H12S2 |
|---|---|
| Molecular Weight | 148.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.03804 |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 924-75-4 |
|---|---|
| SMILES | CCCC(=S)SCC |
| InChIKey | HNYLIMMQDRUSIR-UHFFFAOYSA-N |
Product Overview
Ethyl butanedithioate (CAS 924-75-4), with molecular formula C6H12S2 and molecular weight 148.04 g/mol. IUPAC: ethyl butanedithioate.
Chemical Property Profile of Ethyl butanedithioate
Property Insights of Ethyl butanedithioate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl butanedithioate. With a topological polar surface area (TPSA) of 57.4 Ų, Ethyl butanedithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl butanedithioate 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 Ethyl butanedithioate?
The CAS number of Ethyl butanedithioate is 924-75-4.
What is the molecular formula of Ethyl butanedithioate?
The molecular formula of Ethyl butanedithioate is C6H12S2.
What is the molecular weight of Ethyl butanedithioate?
The molecular weight of Ethyl butanedithioate is 148.04 g/mol.
Where can I buy Ethyl butanedithioate?
You can request a quote for Ethyl butanedithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl butanedithioate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl butanedithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.