(5E)-5-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
TL;DR: (5E)-5-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one (CAS 948016-52-2) is a chemical compound with molecular formula C12H11NO3S2 and molecular weight 281.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5E)-5-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one, AKOS B018327, 5-[3,4-Dimethoxybenzylidene]rhodanine, BAS 00173942, J2.489.275A
| Molecular Formula | C12H11NO3S2 |
|---|---|
| Molecular Weight | 281.02 g/mol |
| LogP | 2.1926 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.01804 |
| Heavy Atoms | 18 |
| Complexity | 540.1241 |
Chemical Identifiers
| CAS Number | 948016-52-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/2\C(=O)NC(=S)S2)OC |
Product Overview
(5E)-5-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one (CAS 948016-52-2), with molecular formula C12H11NO3S2 and molecular weight 281.02 g/mol. IUPAC: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5E)-5-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
Property Insights of (5E)-5-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
The XLogP value of 2.1926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one. With a topological polar surface area (TPSA) of 47.56 Ų, (5E)-5-(3,4-dimethoxybenzylidene)-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-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one 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-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The CAS number of (5E)-5-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is 948016-52-2.
What is the molecular formula of (5E)-5-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The molecular formula of (5E)-5-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is C12H11NO3S2.
What is the molecular weight of (5E)-5-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
The molecular weight of (5E)-5-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one is 281.02 g/mol.
Where can I buy (5E)-5-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
You can request a quote for (5E)-5-(3,4-dimethoxybenzylidene)-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-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(3,4-dimethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.