(5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
TL;DR: (5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one (CAS 6318-37-2) is a chemical compound with molecular formula C10H6ClNOS2 and molecular weight 254.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one, AKOS B018300, Rhodanine,5-p-chlorobenzylidene, Rhodanine, 5-p-chlorobenzylidene, 5-(4-Chlorobenzylidene)rhodanine
| Molecular Formula | C10H6ClNOS2 |
|---|---|
| Molecular Weight | 254.96 g/mol |
| LogP | 2.8288 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.95793 |
| Heavy Atoms | 15 |
| Complexity | 452.99512 |
Chemical Identifiers
| CAS Number | 6318-37-2 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/2\C(=O)NC(=S)S2)Cl |
Product Overview
(5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one (CAS 6318-37-2), with molecular formula C10H6ClNOS2 and molecular weight 254.96 g/mol. IUPAC: (5E)-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
Property Insights of (5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
The XLogP value of 2.8288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one. With a topological polar surface area (TPSA) of 29.1 Ų, (5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one has 1 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 (5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The CAS number of (5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is 6318-37-2.
What is the molecular formula of (5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The molecular formula of (5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is C10H6ClNOS2.
What is the molecular weight of (5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The molecular weight of (5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is 254.96 g/mol.
Where can I buy (5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
You can request a quote for (5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one 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-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(4-chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.