2-(Carbamimidoylsulfanyl)Ethanesulfonic Acid

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Formula C3H8N2O3S2
IUPAC Name 2-carbamimidoylsulfanylethanesulfonic acid
Molecular Mass 184.237 g·mol−1
Heat of Formation -486.7 ± 16.7 kJ·mol−1
Dipole Moment 5.06 ± 1.08 D
Volume 189.02 Å 3
Surface Area 192.5 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-sulphonatoethyl)isothiouronium
  • 2-(amidinothio)ethanesulfonic acid
  • 2-(carbamimidoylthio)ethanesulfonic acid
  • 2-sulfoethyl carbamimidothioate
  • carbamimidothioic acid, 2-sulfoethyl ester
  • ethanesulfonic acid, 2-((aminoiminomethyl)thio)-
  • ethanesulfonic acid, 2-[(aminoiminomethyl)thio]-
CAS Number(s)
  • 25985-57-3
InChIKey LTHWZZOUNJCHES-UHFFFAOYSA-N
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