3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione
TL;DR: 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione (CAS 18331-34-5) is a chemical compound with molecular formula C12H11NOS2 and molecular weight 249.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylidene-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-BENZYLIDENE-3-ETHYL RHODANINE, 5-Benzylidene-3-ethylrhodanine, IFLab1_001589, 5-Benzylidene-3-ethyl-2-thioxothiazolidin-4-one, Rhodanine, 5-benzylidene-3-ethyl-
| Molecular Formula | C12H11NOS2 |
|---|---|
| Molecular Weight | 249.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.02821 |
| Heavy Atoms | 16 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 18331-34-5 |
|---|---|
| SMILES | CCN1C(=O)C(=CC2=CC=CC=C2)SC1=S |
| InChIKey | ZQDPYAPUFMILTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione (CAS 18331-34-5), with molecular formula C12H11NOS2 and molecular weight 249.03 g/mol. IUPAC: 5-benzylidene-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione
Property Insights of 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione
The XLogP value of 3.3 indicates that 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione. Following Lipinski's Rule of Five, 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione 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 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione?
The CAS number of 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione is 18331-34-5.
What is the molecular formula of 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione?
The molecular formula of 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione is C12H11NOS2.
What is the molecular weight of 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione?
The molecular weight of 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione is 249.03 g/mol.
Where can I buy 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione?
You can request a quote for 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.