9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile

Base Information

• Chemical Name: 9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
• CAS No.: 4495-70-9
• Molecular Formula: C13H15N5OS
• Molecular Weight: 289.3561
• DSSTox Substance ID: DTXSID70387991
• Wikidata: Q82182644

Synonyms:9-acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile;4495-70-9;DTXSID70387991;ITUNWANWHZDRQK-UHFFFAOYSA-N;HMS1596O04;STK843227;AKOS000665965

Chemical Property of 9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile

Chemical Property:

• Vapor Pressure: 4.33E-19mmHg at 25°C
• Boiling Point: 693.6°Cat760mmHg
• Flash Point: 373.3°C
• Density: 1.41g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 289.09973129
• Heavy Atom Count: 20
• Complexity: 582

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCC2(CC1)C(=C(SC(=C2C#N)N)N)C#N

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