5-(Aminomethyl)Isothiazol-3(2H)-One

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Properties Simple | Detailed

Formula C4H6N2OS
IUPAC Name 5-(aminomethyl)isothiazol-3-one
Molecular Mass 130.168 g·mol−1
Heat of Formation -35.1 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 145.22 Å 3
Surface Area 151.96 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(aminomethyl)- 3(2h)-isothiazolone
  • 5-(aminomethyl)-1,2-thiazol-3-one
  • 5-(aminomethyl)-3-isothiazolone
  • 5-aminomethyl-3-isothiazolol
  • thiomuscimol
CAS Number(s)
  • 62020-54-6
InChIKey QVBUOPGWPXUAHT-UHFFFAOYSA-N
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