2-[(Cyclopropylcarbonyl)Amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide

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Properties Simple | Detailed

Formula C13H16N2O2S
IUPAC Name 2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
Molecular Mass 264.343 g·mol−1
Heat of Formation -260.4 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 303.63 Å 3
Surface Area 280.6 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  • 2-(cyclopropylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  • 2-[(cyclopropyl-oxomethyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
  • aronis004971
  • axx
  • bas 04349307
  • oprea1_658271
  • oprea1_698996
  • timtec1_000400
InChIKey VATFNEMGBRWLHI-UHFFFAOYSA-N
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