![3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one structure](/static/products/6128/612802-99-0.webp)
3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one
TL;DR: 3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one (CAS 612802-99-0) is a chemical compound with molecular formula C16H8ClF2NOS2 and molecular weight 366.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one, (Z)-3-(3-chloro-4-fluorophenyl)-5-(4-fluorobenzylidene)-2-thioxothiazolidin-4-one, (5Z)-3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C16H8ClF2NOS2 |
|---|---|
| Molecular Weight | 366.97 g/mol |
| LogP | 5.024 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.9704 |
| Heavy Atoms | 23 |
| Complexity | 836.47394 |
Chemical Identifiers
| CAS Number | 612802-99-0 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)C3=CC(=C(C=C3)F)Cl)F |
Product Overview
3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one (CAS 612802-99-0), with molecular formula C16H8ClF2NOS2 and molecular weight 366.97 g/mol. IUPAC: (5Z)-3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one
Property Insights of 3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one
The XLogP value of 5.024 indicates that 3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one?
The CAS number of 3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one is 612802-99-0.
What is the molecular formula of 3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one?
The molecular formula of 3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one is C16H8ClF2NOS2.
What is the molecular weight of 3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one?
The molecular weight of 3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one is 366.97 g/mol.
Where can I buy 3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one?
You can request a quote for 3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-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-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.