1H-Pyrrole-2-Carbothioamide

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Properties Simple | Detailed

Formula C5H6N2S
IUPAC Name pyrrol-1-ium-2-ylium-2-carbothioamide
Molecular Mass 126.180 g·mol−1
Heat of Formation 170.5 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 148.0 Å 3
Surface Area 153.49 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry Cs
Synonyms
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InChIKey KJEMJZMJDZLKRH-UHFFFAOYSA-N
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