2-{[(Carbamoylsulfanyl)Acetyl]Amino}Benzoic Acid

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Properties Simple | Detailed

Formula C10H10N2O4S
IUPAC Name 2-[(2-carbamoylsulfanylacetyl)amino]benzoic acid
Molecular Mass 254.262 g·mol−1
Heat of Formation -635.3 ± 16.7 kJ·mol−1
Dipole Moment 1.07 ± 1.08 D
Volume 271.12 Å 3
Surface Area 260.99 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-aminocarbonylsulfanylethanoylamino)benzoic acid
  • 2-[[2-(carbamoylthio)-1-oxoethyl]amino]benzoic acid
  • 2-[[2-(carbamoylthio)acetyl]amino]benzoic acid
CAS Number(s)
  • 5429-02-7
InChIKey NWUAPELPCMQTDN-UHFFFAOYSA-N
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