Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate
TL;DR: Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate (CAS 6633-79-0) is a chemical compound with molecular formula C10H12O4S2 and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1,3-dithiol-2-ylidene)propanedioate
Also Known As: Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate, diethyl 1,3-dithiol-2-ylidenepropanedioate, Diethyl (2H-1,3-dithiol-2-ylidene)propanedioate
| Molecular Formula | C10H12O4S2 |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 260.0177 |
| Heavy Atoms | 16 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 6633-79-0 |
|---|---|
| SMILES | CCOC(=O)C(=C1SC=CS1)C(=O)OCC |
| InChIKey | YBGWGJDWBPLOHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate (CAS 6633-79-0), with molecular formula C10H12O4S2 and molecular weight 260.02 g/mol. IUPAC: diethyl 2-(1,3-dithiol-2-ylidene)propanedioate.
Chemical Property Profile of Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate
Property Insights of Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate. Following Lipinski's Rule of Five, Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate has 0 hydrogen bond donor(s) and 6 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 2-(1,3-dithiol-2-ylidene)propanedioate?
The CAS number of Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate is 6633-79-0.
What is the molecular formula of Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate?
The molecular formula of Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate is C10H12O4S2.
What is the molecular weight of Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate?
The molecular weight of Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate is 260.02 g/mol.
Where can I buy Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate?
You can request a quote for Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(1,3-dithiol-2-ylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.