5-(Carbamoylsulfanyl)-2-Nitrobenzoic Acid

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Properties Simple | Detailed

Formula C8H6N2O5S
IUPAC Name 5-carbamoylsulfanyl-2-nitro-benzoic acid
Molecular Mass 242.209 g·mol−1
Heat of Formation -433.6 ± 16.7 kJ·mol−1
Dipole Moment 7.26 ± 1.08 D
Volume 245.95 Å 3
Surface Area 233.11 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 2-nitro-5-carbamylthiobenzoic acid
  • 2-nitro-5-thiocarbamylbenzoic acid
  • 2-ntcba
  • 5-(carbamoylthio)-2-nitro-benzoic acid
  • 5-(carbamoylthio)-2-nitrobenzoic acid
  • 5-aminocarbonylsulfanyl-2-nitro-benzoic acid
  • 5-carbamoylsulfanyl-2-nitrobenzoic acid
  • benzoic acid, 5-((aminocarbonyl)thio)-2-nitro-
CAS Number(s)
  • 137091-49-7
InChIKey MKJSYUAWCFCTKL-UHFFFAOYSA-N
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