3-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
TL;DR: 3-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one (CAS 5162-55-0) is a chemical compound with molecular formula C14H14ClNOS2 and molecular weight 311.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-butyl-5-[(2-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-BUTYL-5-(2-CHLOROBENZYLIDENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, (5E)-3-butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one, (5E)-3-butyl-5-[(2-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C14H14ClNOS2 |
|---|---|
| Molecular Weight | 311.02 g/mol |
| LogP | 4.3413 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.02054 |
| Heavy Atoms | 19 |
| Complexity | 542.00244 |
Chemical Identifiers
| CAS Number | 5162-55-0 |
|---|---|
| SMILES | CCCCN1C(=O)/C(=C\C2=CC=CC=C2Cl)/SC1=S |
Product Overview
3-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one (CAS 5162-55-0), with molecular formula C14H14ClNOS2 and molecular weight 311.02 g/mol. IUPAC: (5E)-3-butyl-5-[(2-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Property Insights of 3-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 4.3413 indicates that 3-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-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-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 3 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-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of 3-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one is 5162-55-0.
What is the molecular formula of 3-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of 3-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one is C14H14ClNOS2.
What is the molecular weight of 3-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of 3-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one is 311.02 g/mol.
Where can I buy 3-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for 3-Butyl-5-(2-chlorobenzylidene)-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-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.