![[(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid structure](/static/products/6922/692274-12-7.webp)
[(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
TL;DR: [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid (CAS 692274-12-7) is a chemical compound with molecular formula C18H12ClNO3S3 and molecular weight 420.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid|(E)-2-(5-(4-((4-chlorophenyl)thio)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid|2-[(5E)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C18H12ClNO3S3 |
|---|---|
| Molecular Weight | 420.97 g/mol |
| LogP | 4.777 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.9668 |
| Heavy Atoms | 26 |
| Complexity | 894.9023 |
Chemical Identifiers
| CAS Number | 692274-12-7 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)SC3=CC=C(C=C3)Cl |
Product Overview
[(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid (CAS 692274-12-7), with molecular formula C18H12ClNO3S3 and molecular weight 420.97 g/mol. IUPAC: 2-[(5E)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Property Insights of [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
The XLogP value of 4.777 indicates that [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid has 1 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 [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid?
The CAS number of [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is 692274-12-7.
What is the molecular formula of [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid?
The molecular formula of [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is C18H12ClNO3S3.
What is the molecular weight of [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid?
The molecular weight of [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is 420.97 g/mol.
Where can I buy [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid?
You can request a quote for [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(5E)-5-{4-[(4-chlorophenyl)sulfanyl]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.