(2Z)-2-{2-(Methylsulfanyl)-6-[(S)-Methylsulfinyl]-4-Oxo-2,5-Cyclohexadien-1-Ylidene}Hydrazinecarboxamide

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Properties Simple | Detailed

Formula C9H11N3O3S2
IUPAC Name [(z)-[2-methylsulfanyl-6-[(s)-methylsulfinyl]-4-oxo-cyclohexa-2,5-dien-1-ylidene]amino]urea
Molecular Mass 273.332 g·mol−1
Heat of Formation -137.9 ± 16.7 kJ·mol−1
Dipole Moment 7.33 ± 1.08 D
Volume 298.33 Å 3
Surface Area 258.38 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 1.32 ± eV
Point Group Symmetry C1
Synonyms
  • [[2-[(s)-methylsulfinyl]-6-(methylthio)-4-oxo-1-cyclohexa-2,5-dienylidene]amino]urea
  • [[4-keto-2-[(s)-methylsulfinyl]-6-(methylthio)-1-cyclohexa-2,5-dienylidene]amino]urea
  • hydrazinecarboxamide, 2-(2-(methylsulfinyl)-6-(methylthio)-4-oxo-2,5-cyclohexadien-1-ylidene)-, (s-(z))-
  • rubroflavin
CAS Number(s)
  • 138749-63-0
InChIKey UWVQDKLIYCMDDV-NLZINVLXSA-N
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