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Search term: QPRFOIUWODUGJJ-JAIQZWGSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2Z)-2-[1-(6-Hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)ethylidene]hydrazinecarbothioamide | C18H23N3O3S

(2Z)-2-[1-(6-Hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)ethylidene]hydrazinecarbothioamide

  • Molecular FormulaC18H23N3O3S
  • Average mass361.458 Da
  • Monoisotopic mass361.146027 Da
  • ChemSpider ID21522785

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-[1-(6-Hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)ethyliden]hydrazincarbothioamid [German] [ACD/IUPAC Name]
(2Z)-2-[1-(6-Hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)ethylidene]hydrazinecarbothioamide [ACD/IUPAC Name]
(2Z)-2-[1-(6-Hexyl-7-hydroxy-2-oxo-2H-chromén-3-yl)éthylidène]hydrazinecarbothioamide [French] [ACD/IUPAC Name]
Hydrazinecarbothioamide, 2-[1-(6-hexyl-7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)ethylidene]-, (2Z)- [ACD/Index Name]
(Z)-[1-(6-HEXYL-7-HYDROXY-2-OXOCHROMEN-3-YL)ETHYLIDENE]AMINOTHIOUREA
(Z)-2-(1-(6-hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)ethylidene)hydrazinecarbothioamide
[(Z)-[1-(6-HEXYL-7-HYDROXY-2-OXO-2H-CHROMEN-3-YL)ETHYLIDENE]AMINO]THIOUREA
1-(6-hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)-1-ethanone thiosemicarbazone
307330-77-4 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 571.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.9±3.0 kJ/mol
    Flash Point: 299.4±32.9 °C
    Index of Refraction: 1.622
    Molar Refractivity: 98.5±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.56
    ACD/LogD (pH 5.5): 4.42
    ACD/BCF (pH 5.5): 1349.64
    ACD/KOC (pH 5.5): 6050.44
    ACD/LogD (pH 7.4): 4.32
    ACD/BCF (pH 7.4): 1064.87
    ACD/KOC (pH 7.4): 4773.82
    Polar Surface Area: 129 Å2
    Polarizability: 39.0±0.5 10-24cm3
    Surface Tension: 46.7±7.0 dyne/cm
    Molar Volume: 279.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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