(E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one
TL;DR: (E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one (CAS 50459-52-4) is a chemical compound with molecular formula C11H9NOS2 and molecular weight 235.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AKOS B018337, (5E)-2-mercapto-5-(2-methylbenzylidene)-1,3-thiazol-4(5H)-one, ART-CHEM-BB B018337, 4430AE, (E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one
| Molecular Formula | C11H9NOS2 |
|---|---|
| Molecular Weight | 235.01 g/mol |
| LogP | 2.48382 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.01256 |
| Heavy Atoms | 15 |
| Complexity | 465.41064 |
Chemical Identifiers
| CAS Number | 50459-52-4 |
|---|---|
| SMILES | CC1=CC=CC=C1/C=C/2\C(=O)NC(=S)S2 |
Product Overview
(E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one (CAS 50459-52-4), with molecular formula C11H9NOS2 and molecular weight 235.01 g/mol. IUPAC: (5E)-5-[(2-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one
Property Insights of (E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one
The XLogP value of 2.48382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one. With a topological polar surface area (TPSA) of 29.1 Ų, (E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-Mercapto-5-(2-methylbenzylidene)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 (E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one?
The CAS number of (E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one is 50459-52-4.
What is the molecular formula of (E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one?
The molecular formula of (E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one is C11H9NOS2.
What is the molecular weight of (E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one?
The molecular weight of (E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one is 235.01 g/mol.
Where can I buy (E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one?
You can request a quote for (E)-2-Mercapto-5-(2-methylbenzylidene)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 (E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-Mercapto-5-(2-methylbenzylidene)thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.