(5E)-3-benzyl-5-[3-methoxy-4-(3-phenoxypropoxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one

Base Information

• Chemical Name: (5E)-3-benzyl-5-[3-methoxy-4-(3-phenoxypropoxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
• CAS No.: 6606-90-2
• Molecular Formula: C27H25NO4S2
• Molecular Weight: 491.6217
• DSSTox Substance ID: DTXSID50417669
• Wikidata: Q82227758

Synonyms:STK062991;(5E)-3-benzyl-5-[3-methoxy-4-(3-phenoxypropoxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one;6606-90-2;DTXSID50417669;AKOS005388431

Chemical Property of (5E)-3-benzyl-5-[3-methoxy-4-(3-phenoxypropoxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one

Chemical Property:

• Vapor Pressure: 1.12E-16mmHg at 25°C
• Boiling Point: 648°Cat760mmHg
• Flash Point: 345.7°C
• Density: 1.32g/cm³
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 491.12250063
• Heavy Atom Count: 34
• Complexity: 703

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)OCCCOC4=CC=CC=C4
• Isomeric SMILES: COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3)OCCCOC4=CC=CC=C4

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