(Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one
TL;DR: (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one (CAS 1164526-77-5) 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.
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
Also Known As: (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one, (5Z)-5-(3,4-dimethoxybenzylidene)-4-thioxo-1,3-thiazolidin-2-one, (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one, 5-[(3,4-dimethoxyphenyl)methylene]-4-thioxo-1,3-thiazolidin-2-one, (Z)-5-[(3,4-dimethoxyphenyl)methylene]-4-thioxo-1,3-thiazolidin-2-one
| Molecular Formula | C12H11NO3S2 |
|---|---|
| Molecular Weight | 281.02 g/mol |
| LogP | 2.8285 |
| 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 | 1164526-77-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=S)NC(=O)S2)OC |
Product Overview
(Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one (CAS 1164526-77-5), with molecular formula C12H11NO3S2 and molecular weight 281.02 g/mol. IUPAC: (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.
Chemical Property Profile of (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one
Property Insights of (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one
The XLogP value of 2.8285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one. With a topological polar surface area (TPSA) of 47.56 Ų, (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-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 (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one?
The CAS number of (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one is 1164526-77-5.
What is the molecular formula of (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one?
The molecular formula of (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one is C12H11NO3S2.
What is the molecular weight of (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one?
The molecular weight of (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one is 281.02 g/mol.
Where can I buy (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one?
You can request a quote for (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-(3,4-dimethoxybenzylidene)-4-thioxothiazolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.