2H-Cyclopent(D)Isothiazol-3(4H)-One, 5,6-Dihydro-2-Methyl-

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Properties Simple | Detailed

Formula C7H9NOS
IUPAC Name 2-methyl-5,6-dihydro-4h-cyclopenta[d]isothiazol-3-one
Molecular Mass 155.217 g·mol−1
Heat of Formation -69.7 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 180.31 Å 3
Surface Area 179.42 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-5,6-dihydro-4h-cyclopenta[d][1,2]thiazol-3-one
  • 2-methyl-5,6-dihydro-4h-cyclopenta[d]isothiazol-3-one
CAS Number(s)
  • 82633-79-2
InChIKey PZOGAKOZVSTZSO-UHFFFAOYSA-N
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