5-(5-Methyl-4-Nitro-2-Thienyl)-1,3,4-Oxathiazol-2-One

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Properties Simple | Detailed

Formula C7H4N2O4S2
IUPAC Name 5-(5-methyl-4-nitro-2-thienyl)-1,3,4-oxathiazol-2-one
Molecular Mass 244.248 g·mol−1
Heat of Formation -119.9 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 238.06 Å 3
Surface Area 228.31 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 1.08 ± eV
Point Group Symmetry Cs
Synonyms
  • 5-(5-methyl-4-nitro-thiophen-2-yl)-1,3,4-oxathiazol-2-one
  • 5-(5-methyl-4-nitrothiophen-2-yl)-1,3,4-oxathiazol-2-one
InChIKey ILBBOKHACYTXRK-UHFFFAOYSA-N
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