[1-[(Z)-(carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate

Base Information

• Chemical Name: [1-[(Z)-(carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate
• CAS No.: 31181-08-5
• Molecular Formula: C13H12 N4 O2 S
• Molecular Weight: 288.325
• NSC Number: 185039
• Mol file: 31181-08-5.mol

Synonyms:31181-08-5;NSC185039;NSC-185039

Chemical Property of [1-[(Z)-(carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate

Chemical Property:

• Vapor Pressure: 1.6E-10mmHg at 25°C
• Boiling Point: 510.1°C at 760 mmHg
• Flash Point: 262.3°C
• Density: 1.39g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 288.06809681
• Heavy Atom Count: 20
• Complexity: 402

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC2=C(C=C1)C=CN=C2C=NNC(=S)N
• Isomeric SMILES: CC(=O)OC1=CC2=C(C=C1)C=CN=C2/C=N\NC(=S)N

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