ChemSpider 2D Image | N-Hydroxy-7-(methylsulfanyl)heptanethioamide | C8H17NOS2

N-Hydroxy-7-(methylsulfanyl)heptanethioamide

  • Molecular FormulaC8H17NOS2
  • Average mass207.357 Da
  • Monoisotopic mass207.075150 Da
  • ChemSpider ID24785337

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Heptanethioamide, N-hydroxy-7-(methylthio)- [ACD/Index Name]
N-Hydroxy-7-(methylsulfanyl)heptanethioamide [ACD/IUPAC Name]
N-Hydroxy-7-(méthylsulfanyl)heptanethioamide [French] [ACD/IUPAC Name]
N-Hydroxy-7-(methylsulfanyl)heptanthioamid [German] [ACD/IUPAC Name]
(E)-&omega
(E)-N-hydroxy-7-(methylsulfanyl)heptimidothioate
-(methylsulfanyl)heptyl-thiohydroximate
7-(methylthio)heptyl-thiohydroximate
7-methylthioheptylhydroximate
  • Miscellaneous

    • Compound Source:

      Arabidopsis halleri PlantCyc CPDQT-413
      Arabidopsis lyrata PlantCyc CPDQT-413
      Arabidopsis thaliana col PlantCyc CPDQT-413
      Boechera stricta PlantCyc CPDQT-413
      Brassica napus PlantCyc CPDQT-413
      Brassica oleracea var. capitata PlantCyc CPDQT-413
      Brassica oleracea var. oleracea PlantCyc CPDQT-413
      Brassica rapa FPsc PlantCyc CPDQT-413
      Brassica rapa subsp. pekinensis PlantCyc CPDQT-413
      Capsella grandiflora PlantCyc CPDQT-413
      Capsella rubella PlantCyc CPDQT-413
      Carica papaya PlantCyc CPDQT-413
      Eutrema salsugineum PlantCyc CPDQT-413
      glucosinolate biosynthesis from tetrahomomethionine PlantCyc CPDQT-413
      Linum usitatissimum PlantCyc CPDQT-413
      Thellungiella parvula PlantCyc CPDQT-413

    • Bio Activity:

      (E)-1-(L-cysteinylglycin-S-yl)-N-hydroxy-omega-(methylsulfanyl)heptan-1-imine + H2O -> (E)-N-hydroxy-7-(methylsulfanyl)heptimidothioate + L-seryl-glycine PlantCyc CPDQT-413
      UDP-alpha-D-glucose + (E)-N-hydroxy-7-(methylsulfanyl)heptimidothioate -> 6-(methylsulfanyl)hexyl-desulfoglucosinolate + UDP + H+ PlantCyc CPDQT-413

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 328.9±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.2±6.0 kJ/mol
Flash Point: 152.7±28.4 °C
Index of Refraction: 1.540
Molar Refractivity: 58.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.93
ACD/KOC (pH 5.5): 874.45
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 41.02
ACD/KOC (pH 7.4): 394.43
Polar Surface Area: 97 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 37.5±7.0 dyne/cm
Molar Volume: 185.6±7.0 cm3

Click to predict properties on the Chemicalize site


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