(2Z)-2-[1-(9H-β-Carbolin-3-Yl)Ethylidene]Hydrazinecarbothioamide

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Properties Simple | Detailed

Formula C14H13N5S
IUPAC Name [(z)-1-pyrido[3,4-b]indol-9-ium-3-ylethylideneamino]thiourea
Molecular Mass 283.352 g·mol−1
Heat of Formation 434.6 ± 16.7 kJ·mol−1
Dipole Moment 6.95 ± 1.08 D
Volume 328.75 Å 3
Surface Area 307.42 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1-(9h-pyrido(3,4-b)indol-3-yl)ethylidene)hydrazinecarbothioamide
  • 3-acetyl-beta-carboline thiosemicarbazone
  • hydrazinecarbothioamide, 2-(1-(9h-pyrido(3,4-b)indol-3-yl)ethylidene)-
CAS Number(s)
  • 119694-68-7
InChIKey WPDASJZOPPSHTB-LSCVHKIXSA-N
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