Diethyl dithioxomalonate
TL;DR: Diethyl dithioxomalonate (CAS 16516-18-0) is a chemical compound with molecular formula C7H12O2S2 and molecular weight 192.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O,3-O-diethyl propanebis(thioate)
Also Known As: Diethyl dithioxomalonate, 1,3-diethyl propanedithioate, Dithionmalonsaeure-O,O-diethylester, 1-O,3-O-diethyl propanebis(thioate), O~1~,O~3~-diethyl propanebis(thioate)
| Molecular Formula | C7H12O2S2 |
|---|---|
| Molecular Weight | 192.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.02788 |
| Heavy Atoms | 11 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 16516-18-0 |
|---|---|
| SMILES | CCOC(=S)CC(=S)OCC |
| InChIKey | UYKZSBNMULGADS-UHFFFAOYSA-N |
Product Overview
Diethyl dithioxomalonate (CAS 16516-18-0), with molecular formula C7H12O2S2 and molecular weight 192.03 g/mol. IUPAC: 1-O,3-O-diethyl propanebis(thioate).
Chemical Property Profile of Diethyl dithioxomalonate
Property Insights of Diethyl dithioxomalonate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl dithioxomalonate. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl dithioxomalonate. Following Lipinski's Rule of Five, Diethyl dithioxomalonate has 0 hydrogen bond donor(s) and 4 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 dithioxomalonate?
The CAS number of Diethyl dithioxomalonate is 16516-18-0.
What is the molecular formula of Diethyl dithioxomalonate?
The molecular formula of Diethyl dithioxomalonate is C7H12O2S2.
What is the molecular weight of Diethyl dithioxomalonate?
The molecular weight of Diethyl dithioxomalonate is 192.03 g/mol.
Where can I buy Diethyl dithioxomalonate?
You can request a quote for Diethyl dithioxomalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl dithioxomalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl dithioxomalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.