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Search term: 1-(methylsulfanyl)-4-aci-nitroalkane (Found by synonym)
ChemSpider 2D Image | [(1Z)-4-(Methylsulfanyl)butylidene]azinic acid | C5H11NO2S

[(1Z)-4-(Methylsulfanyl)butylidene]azinic acid

  • Molecular FormulaC5H11NO2S
  • Average mass149.211 Da
  • Monoisotopic mass149.051056 Da
  • ChemSpider ID64808676

More details:

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

[(1Z)-4-(Methylsulfanyl)butyliden]azinsäure [German] [ACD/IUPAC Name]
[(1Z)-4-(Methylsulfanyl)butylidene]azinic acid [ACD/IUPAC Name]
Acide [(1Z)-4-(méthylsulfanyl)butylidène]azinique [French] [ACD/IUPAC Name]
Butane, 1-(methylthio)-4-aci-nitro-, (4Z)- [ACD/Index Name]
(1E)-1-aci-nitro-ω-(methylsulfanyl)alkane
(1E)-1-aci-nitro-ω-(methylthio)alkane
(E)-hydroxy[4-(methylsulfanyl)butylidene]oxidoazanium
[(E)-ω-(methylsulfanyl)alkylidene]azinic acid
[ω-(methylsulfanyl)alkylidene]azinic acid
[ω-(methylthio)alkylidene]azinic acid
More...
  • Miscellaneous

    • Chemical Class:

      A 1-aci-nitro-omega-(methylsulfanyl)alkane in which the double bond adopts an E-configuration. ChEBI CHEBI:192829
      An <ital>aci</ital>-nitro compound resulting from the formal oxidation of the oxime nitrogen of an <locant>omega</locant>-(methylsulfany)-(<stereo>E</stereo>)-alkanal oxime. ChEBI CHEBI:136065
      An aci-nitro compound resulting from the formal oxidation of the oxime nitrogen of an omega-(methylsulfany)-alkanal oxime. ChEBI CHEBI:136065

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

Density: 1.1±0.1 g/cm3
Boiling Point: 324.5±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.7±6.0 kJ/mol
Flash Point: 150.0±28.4 °C
Index of Refraction: 1.530
Molar Refractivity: 40.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 74 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 131.6±3.0 cm3

Click to predict properties on the Chemicalize site


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