methyl (9E)-9-(carbamothioylhydrazinylidene)fluorene-1-carboxylate

Base Information

• Chemical Name: methyl (9E)-9-(carbamothioylhydrazinylidene)fluorene-1-carboxylate
• CAS No.: 42134-97-4
• Molecular Formula: C16H13 N3 O2 S
• Molecular Weight: 311.3583
• NSC Number: 100802
• DSSTox Substance ID: DTXSID60418925
• Mol file: 42134-97-4.mol

Synonyms:NSC100802;42134-97-4;DTXSID60418925;NSC-100802

Chemical Property of methyl (9E)-9-(carbamothioylhydrazinylidene)fluorene-1-carboxylate

Chemical Property:

• Vapor Pressure: 6.65E-12mmHg at 25°C
• Boiling Point: 544.2°C at 760 mmHg
• Flash Point: 282.9°C
• Density: 1.39g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 311.07284784
• Heavy Atom Count: 22
• Complexity: 494

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC2=C1C(=NNC(=S)N)C3=CC=CC=C23
• Isomeric SMILES: COC(=O)C1=CC=CC2=C1/C(=N/NC(=S)N)/C3=CC=CC=C23

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