Aphistar

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Properties Simple | Detailed

Formula C13H22N4O3S
IUPAC Name ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Molecular Mass 314.404 g·mol−1
Heat of Formation -422.6 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 383.21 Å 3
Surface Area 349.06 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[5-tert-butyl-2-(dimethylamino-oxomethyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester
  • 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester
  • acetic acid, ((1-[(dimethylamino)carbonyl]-3-(1,1-dimethylethyl)-1h-1,2,4-triazol-5-yl)thio)-, ethyl ester
  • ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
  • ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate
  • ethyl {[3-tert-butyl-1-(dimethylcarbamoyl)-1h-1,2,4-triazol-5-yl]sulfanyl}acetate
  • rh 7988
  • triazamate
  • triazamate [iso:bsi]
  • triazuron
CAS Number(s)
  • 110895-43-7
  • 112143-82-5
InChIKey NKNFWVNSBIXGLL-UHFFFAOYSA-N
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