3-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one
TL;DR: 3-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one (CAS 453-69-0) is a chemical compound with molecular formula C10H8FNOS2 and molecular weight 241.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-(4-fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one, 3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, 4-nitro-toluene-2-sulfonyl fluoride, J3.106.416C, 3-(4-Fluorobenzyl)-2-thioxothiazolidine-4-one
| Molecular Formula | C10H8FNOS2 |
|---|---|
| Molecular Weight | 241.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.00313 |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 453-69-0 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)CC2=CC=C(C=C2)F |
| InChIKey | WOFKPTGCWXSHEO-UHFFFAOYSA-N |
Product Overview
3-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one (CAS 453-69-0), with molecular formula C10H8FNOS2 and molecular weight 241.00 g/mol. IUPAC: 3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one
Property Insights of 3-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluorobenzyl)-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-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 3-(4-Fluorobenzyl)-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-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of 3-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one is 453-69-0.
What is the molecular formula of 3-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of 3-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one is C10H8FNOS2.
What is the molecular weight of 3-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of 3-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one is 241.00 g/mol.
Where can I buy 3-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for 3-(4-Fluorobenzyl)-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-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.