6-[[5-(2-Chlorophenyl)furan-2-yl]methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Base Information

• Chemical Name: 6-[[5-(2-Chlorophenyl)furan-2-yl]methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
• CAS No.: 5826-58-4
• Molecular Formula: C18H16 O2 S
• Molecular Weight: 454.9723
• DSSTox Substance ID: DTXSID90410619

Synonyms:5826-58-4;6-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;DTXSID90410619

Chemical Property of 6-[[5-(2-Chlorophenyl)furan-2-yl]methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Chemical Property:

• Vapor Pressure: 1.58E-12mmHg at 25°C
• Boiling Point: 559°Cat760mmHg
• Flash Point: 291.9°C
• PSA: 112.48000
• Density: 1.36g/cm³
• LogP: 5.25610
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 454.1230249
• Heavy Atom Count: 31
• Complexity: 796

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1=NN2C(=N)C(=CC3=CC=C(O3)C4=CC=CC=C4Cl)C(=O)N=C2S1

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