(2E)-2-[(5-Amino-1-Isoquinolinyl)Methylene]Hydrazinecarbothioamide

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Properties Simple | Detailed

Formula C11H11N5S
IUPAC Name [(e)-(5-amino-1-isoquinolyl)methyleneamino]thiourea
Molecular Mass 245.304 g·mol−1
Heat of Formation 420.3 ± 16.7 kJ·mol−1
Dipole Moment 9.22 ± 1.08 D
Volume 281.81 Å 3
Surface Area 268.57 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry Cs
Synonyms
  • 5-amino-1-formylisoquinoline thiosemicarbazone
  • [(5-amino-1-isoquinolyl)methyleneamino]thiourea
  • [(5-aminoisoquinolin-1-yl)methylideneamino]thiourea
  • hydrazinecarbothioamide, 2-((5-amino-1-isoquinolinyl)methylene)- (9ci)
  • hydrazinecarbothioamide, 2-[(5-amino-1-isoquinolinyl)methylene]-
  • isoquinaldaldehyde, 5-amino-, thiosemicarbazone
  • isoquinaldaldehyde, 5-amino-, thiosemicarbazone (8ci)
CAS Number(s)
  • 20335-57-3
InChIKey MLTULNASULCZLR-GIDUJCDVSA-N
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