5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one
TL;DR: 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one (CAS 1394929-64-6) is a chemical compound with molecular formula C10H7NO3S2 and molecular weight 252.98674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-(3,4-dihydroxybenzylidene)rho-danine, 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one, BAS 00253437, BIM-0013059.P001, (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Technical Specifications
| Molecular Formula | C10H7NO3S2 |
| Molecular Weight | 252.98674 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.98674 Da |
| Heavy Atoms | 16 |
| Complexity | 356.0 |
| SMILES | C1=CC(=C(C=C1/C=C\2/C(=O)NC(=S)S2)O)O |
| InChIKey | WVCFNVNKWVWZFT-YWEYNIOJSA-N |
Chemical Property Profile of 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one
Property Insights of 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one. Following Lipinski's Rule of Five, 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one?
The CAS number of 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one is 1394929-64-6.
What is the molecular formula of 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one?
The molecular formula of 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one is C10H7NO3S2.
What is the molecular weight of 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one?
The molecular weight of 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one is 252.98674 g/mol.
Where can I buy 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one?
You can request a quote for 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one?
Yes, CoreyChem provides custom synthesis services for 5-(3,4-Dihydroxy-benzylidene)-2-thioxo-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.