Acibenzolar-S-Methyl

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Properties Simple | Detailed

Formula C8H6N2OS2
IUPAC Name s-methyl 1,2,3-benzothiadiazole-7-carbothioate
Molecular Mass 210.276 g·mol−1
Heat of Formation 161.3 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 221.88 Å 3
Surface Area 212.57 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,3-benzothiadiazole-7-carbothioic acid s-methyl ester
  • 1,2,3-benzothiadiazole-7-carbothiolic acid, s-methyl ester
  • acebenzolar-s-methyl
  • actigard
  • bendicar
  • benzothiadiazole
  • bion (pesticide)
  • bth (agrochemical)
  • cga 245704
  • s-methyl 1,2,3-benzothiadiazole-7-carbothioate
CAS Number(s)
  • 135158-54-2
InChIKey UELITFHSCLAHKR-UHFFFAOYSA-N
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