(5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
TL;DR: (5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one (CAS 5447-37-0) is a chemical compound with molecular formula C11H9NO3S2 and molecular weight 267.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: Guanidinehydrochloride, 5-Vanillylidene rhodanine, AKOS B018319, (5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one, BAS 00319529
| Molecular Formula | C11H9NO3S2 |
|---|---|
| Molecular Weight | 267.00 g/mol |
| LogP | 1.8896 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.00238 |
| Heavy Atoms | 17 |
| Complexity | 525.4479 |
Chemical Identifiers
| CAS Number | 5447-37-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)S2)O |
Product Overview
(5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one (CAS 5447-37-0), with molecular formula C11H9NO3S2 and molecular weight 267.00 g/mol. IUPAC: (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
Property Insights of (5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
The XLogP value of 1.8896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one. With a topological polar surface area (TPSA) of 58.56 Ų, (5E)-5-(4-hydroxy-3-methoxybenzylidene)-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-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one has 2 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-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The CAS number of (5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is 5447-37-0.
What is the molecular formula of (5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The molecular formula of (5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is C11H9NO3S2.
What is the molecular weight of (5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The molecular weight of (5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is 267.00 g/mol.
Where can I buy (5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
You can request a quote for (5E)-5-(4-hydroxy-3-methoxybenzylidene)-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-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.