Acetic Acid, [[4-Chloro-6-[(2,3-Dimethylphenyl)Amino]-2-Pyrimidinyl]Thio]-

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Properties Simple | Detailed

Formula C14H14ClN3O2S
IUPAC Name 2-[[4-chloro-6-(2,3-dimethylanilino)-5h-pyrimidine-1,3-diium-5-id-2-yl]sulfanyl]acetic acid
Molecular Mass 323.798 g·mol−1
Heat of Formation -211.0 ± 16.7 kJ·mol−1
Dipole Moment 7.26 ± 1.08 D
Volume 358.74 Å 3
Surface Area 317.36 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • ((4-chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid
  • ((4-chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl)thio)acetic acid
  • ((4-chloro-6-(2,3-xylidino)-2-pyrimidinyl)thio)acetic acid
  • (4-chloro-6-(2,3-xylidino)-2-pyrimidinylthio) acetic acid
  • (4-chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid
  • ({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid
  • ({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}thio)acetic acid
  • 2-[4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanylacetic acid
  • 2-[4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanylethanoic acid
  • 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]acetic acid
  • 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]thio]acetic acid
  • 4-chloro-6-(2,3-xylidino)-2-pyrimidinylthioacetic acid
  • [4-chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid
  • acetic acid, ((4-chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)-
  • acetic acid, ((4-chloro-6-(2,3-xylidino)-2-pyrimidinyl)thio)-
  • acetic acid, [[4-chloro-6-(2,3-xylidino)-2-pyrimidinyl]thio]-
  • bio1_000142
  • bio1_000631
  • bio1_001120
  • bio2_000260
  • bio2_000740
  • cbiol_001856
  • cmap_000028
  • pirinixic acid
  • pirnixic acid
  • tocris-1312
  • wy-14,643
  • wy-14643
  • wy14643
  • wyeth 14,643
CAS Number(s)
  • 50892-23-4
InChIKey SZRPDCCEHVWOJX-UHFFFAOYSA-N
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