Ethyl propanedithioate
TL;DR: Ethyl propanedithioate (CAS 998-79-8) is a chemical compound with molecular formula C5H10S2 and molecular weight 134.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl propanedithioate
Also Known As: Ethyl propanedithioate, 1-(ETHYLSULFANYL)PROPANE-1-THIONE, Ethyl propanedithioate #, ethyl ester of propanedithioic acid, Propane(dithioic) acid, ethyl ester
| Molecular Formula | C5H10S2 |
|---|---|
| Molecular Weight | 134.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.0224 |
| Heavy Atoms | 7 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 998-79-8 |
|---|---|
| SMILES | CCC(=S)SCC |
| InChIKey | WHQPNJDXIICPAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl propanedithioate (CAS 998-79-8), with molecular formula C5H10S2 and molecular weight 134.02 g/mol. IUPAC: ethyl propanedithioate.
Chemical Property Profile of Ethyl propanedithioate
Property Insights of Ethyl propanedithioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl propanedithioate. With a topological polar surface area (TPSA) of 57.4 Ų, Ethyl propanedithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl propanedithioate 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 propanedithioate?
The CAS number of Ethyl propanedithioate is 998-79-8.
What is the molecular formula of Ethyl propanedithioate?
The molecular formula of Ethyl propanedithioate is C5H10S2.
What is the molecular weight of Ethyl propanedithioate?
The molecular weight of Ethyl propanedithioate is 134.02 g/mol.
Where can I buy Ethyl propanedithioate?
You can request a quote for Ethyl propanedithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl propanedithioate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl propanedithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.