(3Z)-2-amino-4-(5-nitrothiophen-2-yl)buta-1,3-diene-1,1,3-tricarbonitrile

Base Information

• Chemical Name: (3Z)-2-amino-4-(5-nitrothiophen-2-yl)buta-1,3-diene-1,1,3-tricarbonitrile
• CAS No.: 179951-64-5
• Molecular Formula: C11H5 N5 O2 S
• Molecular Weight: 271.25
• Mol file: 179951-64-5.mol

Synonyms:179951-64-5;(3Z)-2-amino-4-(5-nitrothiophen-2-yl)buta-1,3-diene-1,1,3-tricarbonitrile;2-Amino-4-(5-nitro-2-thienyl)-1,3-butadiene-1,1,3-tricarbonitrile;(3E)-2-AMINO-4-(5-NITROTHIOPHEN-2-YL)BUTA-1,3-DIENE-1,1,3-TRICARBONITR ILE

Chemical Property of (3Z)-2-amino-4-(5-nitrothiophen-2-yl)buta-1,3-diene-1,1,3-tricarbonitrile

Chemical Property:

• Vapor Pressure: 1.21E-18mmHg at 25°C
• Boiling Point: 685.5°Cat760mmHg
• Flash Point: 368.4°C
• PSA: 171.45000
• Density: 1.553g/cm³
• LogP: 3.04674
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 271.01639559
• Heavy Atom Count: 19
• Complexity: 585

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=C1)[N+](=O)[O-])C=C(C#N)C(=C(C#N)C#N)N
• Isomeric SMILES: C1=C(SC(=C1)[N+](=O)[O-])/C=C(\C#N)/C(=C(C#N)C#N)N

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