1-Formylisoquinoline thiosemicarbazone

Base Information

• Chemical Name: 1-Formylisoquinoline thiosemicarbazone
• CAS No.: 61043-13-8
• Molecular Formula: C11H10N4S
• Molecular Weight: 230.2889
• NSC Number: 162700
• Nikkaji Number: J86.377G
• ChEMBL ID: CHEMBL1976175

Synonyms:1-formylisoquinoline thiosemicarbazone;1-formylisoquinoline thiosemicarbazone, (E)-isomer;1-formylisoquinoline thiosemicarbazone, (Z)-isomer;IQ-1-CTS;isoquinoline-1-carboxaldehyde thiosemicarbazone

Chemical Property of 1-Formylisoquinoline thiosemicarbazone

Chemical Property:

• Vapor Pressure: 3.4E-08mmHg at 25°C
• Boiling Point: 447.3°C at 760 mmHg
• Flash Point: 224.3°C
• Density: 1.33g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 230.06261751
• Heavy Atom Count: 16
• Complexity: 279

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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