3-Benzyl-5-(1-methyl-1H-indol-3-ylmethylene)-2-thioxo-thiazolidin-4-one

Base Information

• Chemical Name: 3-Benzyl-5-(1-methyl-1H-indol-3-ylmethylene)-2-thioxo-thiazolidin-4-one
• CAS No.: 5721-74-4
• Molecular Formula: C20H16N2OS2
• Molecular Weight: 364.4838
• DSSTox Substance ID: DTXSID90362109
• Wikidata: Q82144870
• Mol file: 5721-74-4.mol

Synonyms:5721-74-4;ZINC01204110;DTXSID90362109;AKOS000408211;AB00094640-01;3-Benzyl-5-(1-methyl-1H-indol-3-ylmethylene)-2-thioxo-thiazolidin-4-one

Chemical Property of 3-Benzyl-5-(1-methyl-1H-indol-3-ylmethylene)-2-thioxo-thiazolidin-4-one

Chemical Property:

• Vapor Pressure: 8.58E-13mmHg at 25°C
• Boiling Point: 565.1°Cat760mmHg
• Flash Point: 295.6°C
• Density: 1.29g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 364.07040549
• Heavy Atom Count: 25
• Complexity: 570

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C2=CC=CC=C21)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4
• Isomeric SMILES: CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)N(C(=S)S3)CC4=CC=CC=C4