3-Phenethyl-2-thioxothiazolidin-4-one
TL;DR: 3-Phenethyl-2-thioxothiazolidin-4-one (CAS 3889-20-1) is a chemical compound with molecular formula C11H11NOS2 and molecular weight 237.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: Rhodanine, 3-phenethyl-, 3-Phenethylrhodanine, Rhodanine,3-phenethyl, Maybridge3_005729, 3-Phenethyl-2-thioxothiazolidin-4-one
| Molecular Formula | C11H11NOS2 |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.02821 |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 3889-20-1 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)CCC2=CC=CC=C2 |
| InChIKey | VYNFNTKJZYOOPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenethyl-2-thioxothiazolidin-4-one (CAS 3889-20-1), with molecular formula C11H11NOS2 and molecular weight 237.03 g/mol. IUPAC: 3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Phenethyl-2-thioxothiazolidin-4-one
Property Insights of 3-Phenethyl-2-thioxothiazolidin-4-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenethyl-2-thioxothiazolidin-4-one. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenethyl-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, 3-Phenethyl-2-thioxothiazolidin-4-one 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-Phenethyl-2-thioxothiazolidin-4-one?
The CAS number of 3-Phenethyl-2-thioxothiazolidin-4-one is 3889-20-1.
What is the molecular formula of 3-Phenethyl-2-thioxothiazolidin-4-one?
The molecular formula of 3-Phenethyl-2-thioxothiazolidin-4-one is C11H11NOS2.
What is the molecular weight of 3-Phenethyl-2-thioxothiazolidin-4-one?
The molecular weight of 3-Phenethyl-2-thioxothiazolidin-4-one is 237.03 g/mol.
Where can I buy 3-Phenethyl-2-thioxothiazolidin-4-one?
You can request a quote for 3-Phenethyl-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenethyl-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenethyl-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.