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Properties Simple | Detailed

Formula C9H17NOS
IUPAC Name s-ethyl azepane-1-carbothioate
Molecular Mass 187.302 g·mol−1
Heat of Formation -262.9 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 237.85 Å 3
Surface Area 223.09 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • 1-azepanecarbothioic acid s-ethyl ester
  • 1h-azepine-1-carbothioic acid, hexahydro-, s-ethyl ester
  • azepane-1-carbothioic acid s-ethyl ester
  • caswell no. 444
  • epa pesticide chemical code 041402
  • ethyl 1-hexamethyleneiminecarbothiolate
  • felan
  • higalnate
  • hydram
  • jalan
  • malerbane giavoni l
  • molinate
  • molinate [bsi:iso]
  • molinate estrella
  • molmate
  • ordram
  • perhydroazepin-1-carbothioate
  • r 4572
  • r-4572
  • s-ethyl 1-hexamethyleneiminothiocarbamate
  • s-ethyl azepane-1-carbothioate
  • s-ethyl hexahydro-1h-azepine-1-carbothioate
  • s-ethyl hexahydroazepine-1-carbothioate
  • s-ethyl n,n-hexamethylenethiocarbamate
  • s-ethyl perhydroazepin-1-carbothioate
  • s-ethyl perhydroazepine-1-thiocarboxylate
  • s-ethyl-n,n-hexamethylenethiocarbamate
  • s-ethyl-n-hexamethylenethiocarbamate
  • sakkimol
  • sc 998
  • yalan
  • yulan
CAS Number(s)
  • 2212-67-1
InChIKey DEDOPGXGGQYYMW-UHFFFAOYSA-N
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