(2E)-3-(Carbamimidoylsulfanyl)Acrylic Acid

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Properties Simple | Detailed

Formula C4H6N2O2S
IUPAC Name (e)-3-carbamimidoylsulfanylprop-2-enoic acid
Molecular Mass 146.168 g·mol−1
Heat of Formation -235.9 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 162.74 Å 3
Surface Area 173.26 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry Cs
Synonyms
  • (e)-3-(amidinothio)acrylic acid
  • (e)-3-(carbamimidoylthio)prop-2-enoic acid
  • (e)-3-carbamimidoylsulfanylprop-2-enoic acid
  • 2-propenoic acid, 3-((aminoiminomethyl)thio)-, (z)-
  • 3-((aminoiminomethyl)thio)-2-propenoic acid
  • 3-(amidinothio)acrylic acid
  • 3-(carbamimidoylthio)prop-2-enoic acid
  • 3-carbamimidoylsulfanylprop-2-enoic acid
  • zapa
CAS Number(s)
  • 103232-23-1
  • 92138-10-8
InChIKey QEYNZJBVNYDZKZ-OWOJBTEDSA-N
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