(5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one
TL;DR: (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one (CAS 519033-84-2) is a chemical compound with molecular formula C14H11ClFNO3S3 and molecular weight 390.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxothiazolidin-4-one
| Molecular Formula | C14H11ClFNO3S3 |
|---|---|
| Molecular Weight | 390.96 g/mol |
| LogP | 2.8674 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.95737 |
| Heavy Atoms | 23 |
| Complexity | 817.4193 |
Chemical Identifiers
| CAS Number | 519033-84-2 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N2C(=O)/C(=C/C3=C(C=CC=C3Cl)F)/SC2=S |
Product Overview
(5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one (CAS 519033-84-2), with molecular formula C14H11ClFNO3S3 and molecular weight 390.96 g/mol. IUPAC: (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one
Property Insights of (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 2.8674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one. With a topological polar surface area (TPSA) of 54.45 Ų, (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 5 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 (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one is 519033-84-2.
What is the molecular formula of (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one is C14H11ClFNO3S3.
What is the molecular weight of (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one is 390.96 g/mol.
Where can I buy (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-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 (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-(2-chloro-6-fluorobenzylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.