S-[(Z)-(Hydroxyimino)(4-Methylphenyl)Methyl] (Diethylamino)Ethanethioate

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Properties Simple | Detailed

Formula C14H20N2O2S
IUPAC Name s-[(z)-n-hydroxy-c-(p-tolyl)carbonimidoyl] 2-(diethylamino)ethanethioate
Molecular Mass 280.386 g·mol−1
Heat of Formation -130.1 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 355.65 Å 3
Surface Area 280.88 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 2-diethylaminoethanethioic acid s-[(4-methylphenyl)carbohydroximoyl] ester
  • 2-diethylaminoethanethioic acid s-[(z)-hydroxyimino-(4-methylphenyl)methyl] ester
  • dev-b-43
  • ethanethioic acid, (diethylamino)-, anhydrosulfide with n-hydroxy-4-methylbenzenecarboximidothioic acid
  • s-(2-(diethylamino)ethyl) alpha-keto-4-methylbenzothiohydroximate
  • s-[n-hydroxy-c-(4-methylphenyl)carbonimidoyl] 2-diethylaminoethanethioate
CAS Number(s)
  • 105300-32-1
InChIKey UBJCWMWSJIHGGU-PFONDFGASA-N
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