Dimethyl 4-(2-Isothiocyanatophenyl)-2,6-Dimethyl-1,4-Dihydro-3,5-Pyridinedicarboxylate

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Properties Simple | Detailed

Formula C18H18N2O4S
IUPAC Name dimethyl 4-(2-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Mass 358.412 g·mol−1
Heat of Formation -439.2 ± 16.7 kJ·mol−1
Dipole Moment 6.63 ± 1.08 D
Volume 412.19 Å 3
Surface Area 336.73 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-dihydro-2,6-dimethyl-4-(2-isothiocyanatophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester
  • 2,6-ddicpp
  • 2,6-dimethyl-3,5-dicarbomethoxy-4-(2-isothiocyano)phenyl-1,4-dihydropyridine
  • 4-(2-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
  • dhp-itc
CAS Number(s)
  • 86880-83-3
InChIKey KFNCOOZSSXYNNF-UHFFFAOYSA-N
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