3-Amino-1-Propanesulfonothioic O-Acid

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Properties Simple | Detailed

Formula C3H9NO2S2
IUPAC Name 3-hydroxysulfonothioylpropan-1-amine
Molecular Mass 155.239 g·mol−1
Heat of Formation -347.8 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 171.13 Å 3
Surface Area 175.09 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 3.08 ± eV
Point Group Symmetry C1
Synonyms
  • 3-aminopropanethiosulfonic acid
  • 3-hydroxysulfonothioylpropylamine
  • homothiotaurine
CAS Number(s)
  • 40957-87-7
InChIKey YKJDKJMRUBIVRB-UHFFFAOYSA-N
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