3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one
TL;DR: 3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one (CAS 56676-50-7) is a chemical compound with molecular formula C9H6FNOS2 and molecular weight 226.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-fluorophenyl rhodanine, 3-(3-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one, BAS 00478397, 3-(3-Fluoro-phenyl)-2-thioxo-thiazolidin-4-one, 3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C9H6FNOS2 |
|---|---|
| Molecular Weight | 226.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.98749 |
| Heavy Atoms | 14 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 56676-50-7 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)C2=CC(=CC=C2)F |
| InChIKey | VXWKCDITSXADSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one (CAS 56676-50-7), with molecular formula C9H6FNOS2 and molecular weight 226.99 g/mol. IUPAC: 3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one
Property Insights of 3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one 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 3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of 3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one is 56676-50-7.
What is the molecular formula of 3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of 3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one is C9H6FNOS2.
What is the molecular weight of 3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of 3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one is 226.99 g/mol.
Where can I buy 3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for 3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-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-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.