Ethyl 4-Amino-2-[(2,4-Dinitrophenyl)Sulfanyl]-5-Pyrimidinecarboxylate

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Properties Simple | Detailed

Formula C13H11N5O6S
IUPAC Name ethyl 4-amino-2-(2,4-dinitrophenyl)sulfanyl-pyrimidine-5-carboxylate
Molecular Mass 365.321 g·mol−1
Heat of Formation -144.7 ± 16.7 kJ·mol−1
Dipole Moment 6.69 ± 1.08 D
Volume 378.55 Å 3
Surface Area 341.71 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -2.16 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-2-[(2,4-dinitrophenyl)thio]-5-pyrimidinecarboxylic acid ethyl ester
  • 4-amino-2-[(2,4-dinitrophenyl)thio]pyrimidine-5-carboxylic acid ethyl ester
  • bim-0022631.p001
  • cbmicro_022715
CAS Number(s)
  • 75464-92-5
InChIKey GWECAEFYWYGWFM-UHFFFAOYSA-N
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