(2Z,3E)-Bis{Amino[(2-Aminophenyl)Sulfanyl]Methylene}Succinonitrile

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Properties Simple | Detailed

Formula C18H16N6S2
IUPAC Name (2e,3z)-2,3-bis[amino-(2-aminophenyl)sulfanyl-methylene]butanedinitrile
Molecular Mass 380.490 g·mol−1
Heat of Formation 497.3 ± 16.7 kJ·mol−1
Dipole Moment 9.65 ± 1.08 D
Volume 442.98 Å 3
Surface Area 341.93 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,3z)-2,3-bis[amino-(2-aminophenyl)sulfanyl-methylene]butanedinitrile
  • (2e,3z)-2,3-bis[amino-(2-aminophenyl)sulfanyl-methylidene]butanedinitrile
  • (2e,3z)-2,3-bis[amino-[(2-aminophenyl)thio]methylene]butanedinitrile
  • (2e,3z)-2,3-bis[amino-[(2-aminophenyl)thio]methylene]succinonitrile
  • tocris-1144
InChIKey DVEXZJFMOKTQEZ-MJZABRMRSA-N
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