[(E)-[(2E)-2-(carbamothioylhydrazinylidene)acenaphthylen-1-ylidene]amino]thiourea

Base Information

• Chemical Name: [(E)-[(2E)-2-(carbamothioylhydrazinylidene)acenaphthylen-1-ylidene]amino]thiourea
• CAS No.: 42135-96-6
• Molecular Formula: C14H12N6S2
• NSC Number: 120145
• DSSTox Substance ID: DTXSID20430284

Synonyms:NSC120145;42135-96-6;DTXSID20430284;NSC-120145

Chemical Property of [(E)-[(2E)-2-(carbamothioylhydrazinylidene)acenaphthylen-1-ylidene]amino]thiourea

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 328.05648676
• Heavy Atom Count: 22
• Complexity: 498

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C(=NNC(=S)N)C(=NNC(=S)N)C3=CC=C2
• Isomeric SMILES: C1=CC2=C3C(=CC=C2)/C(=N\NC(=S)N)/C(=N/NC(=S)N)/C3=C1

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