Diethyl carbonotrithioate
TL;DR: Diethyl carbonotrithioate (CAS 2314-49-0) is a chemical compound with molecular formula C5H10S3 and molecular weight 165.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(ethylsulfanyl)methanethione
Also Known As: Diethyl trithiocarbonate, bis(ethylsulfanyl)methanethione, diethyl carbonotrithioate, diethyltrithiocarbonate, Carbonotrithioic acid, diethyl ester
| Molecular Formula | C5H10S3 |
|---|---|
| Molecular Weight | 165.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.99446 |
| Heavy Atoms | 8 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 2314-49-0 |
|---|---|
| SMILES | CCSC(=S)SCC |
| InChIKey | NRQCYLXIKLRTQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl carbonotrithioate (CAS 2314-49-0), with molecular formula C5H10S3 and molecular weight 165.99 g/mol. IUPAC: bis(ethylsulfanyl)methanethione.
Chemical Property Profile of Diethyl carbonotrithioate
Property Insights of Diethyl carbonotrithioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl carbonotrithioate. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl carbonotrithioate. Following Lipinski's Rule of Five, Diethyl carbonotrithioate has 0 hydrogen bond donor(s) and 3 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 Diethyl carbonotrithioate?
The CAS number of Diethyl carbonotrithioate is 2314-49-0.
What is the molecular formula of Diethyl carbonotrithioate?
The molecular formula of Diethyl carbonotrithioate is C5H10S3.
What is the molecular weight of Diethyl carbonotrithioate?
The molecular weight of Diethyl carbonotrithioate is 165.99 g/mol.
Where can I buy Diethyl carbonotrithioate?
You can request a quote for Diethyl carbonotrithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl carbonotrithioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl carbonotrithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.