Dithiopyr

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Properties Simple | Detailed

Formula C15H16F5NO2S2
IUPAC Name s3,s5-dimethyl 2-(difluoromethyl)-4-isobutyl-6-(trifluoromethyl)pyridine-3,5-dicarbothioate
Molecular Mass 401.415 g·mol−1
Heat of Formation -1313.6 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 417.62 Å 3
Surface Area 334.25 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(difluoromethyl)-4-isobutyl-6-(trifluoromethyl)pyridine-3,5-dicarbothioic acid dimethyl ester
  • 3,5-pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, s,s-dimethyl ester
  • dimension
  • dimethyl 2-(difluoromethyl)-4-isobutyl-6-(trifluoromethyl)pyridine-3,5-dicarbothioate
  • mon 15100
  • mon 7200
  • s3,s5-dimethyl 2-(difluoromethyl)-4-isobutyl-6-(trifluoromethyl)pyridine-3,5-dicarbothioate
CAS Number(s)
  • 97886-45-8
InChIKey YUBJPYNSGLJZPQ-UHFFFAOYSA-N
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