2-{4-[(4-Chlorophenyl)Sulfanyl]-3,5-Dimethylphenyl}-1,2,4-Triazine-3,5(2H,4H)-Dione

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Properties Simple | Detailed

Formula C17H14ClN3O2S
IUPAC Name 2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,2,4-triazine-3,5-dione
Molecular Mass 359.830 g·mol−1
Heat of Formation -74.2 ± 16.7 kJ·mol−1
Dipole Moment 1.59 ± 1.08 D
Volume 395.01 Å 3
Surface Area 346.88 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,4-triazine-3,5(2h,4h)-dione, 2-(4-((4-chlorophenyl)thio)-3,5-dimethylphenyl)-
  • 2-(4-((4-chlorophenyl)thio)-3,5-dimethylphenyl)-1,2,4-triazine-3,5(2h,4h)-dione
  • 2-(4-((p-chlorophenyl)thio)-3,5-dimethylphenyl)-as-triazine-3,5(2h,4h)-dione
  • 2-(4-((p-chlorophenyl)thio)-3,5-xylyl)-as-triazine-3,5-(2h,4h)-dione
  • 2-[4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-phenyl]-1,2,4-triazine-3,5-dione
  • 2-[4-[(4-chlorophenyl)thio]-3,5-dimethyl-phenyl]-1,2,4-triazine-3,5-quinone
  • 2-[4-[(4-chlorophenyl)thio]-3,5-dimethylphenyl]-1,2,4-triazine-3,5-dione
  • as-triazine-3,5(2h,4h)-dione, 2-(4-((p-chlorophenyl)thio)-3,5-dimethylphenyl)-
  • cp-25,673
  • d06131
  • tiazuril
  • tiazuril (usan)
  • tiazurilum
CAS Number(s)
  • 35319-70-1
InChIKey YLEMUUWGEWKCGK-UHFFFAOYSA-N
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