ChemSpider 2D Image | 1-Allyl-3-[(2E)-3,4-dimethyl-1,3-thiazol-2(3H)-ylidene]thiourea | C9H13N3S2

1-Allyl-3-[(2E)-3,4-dimethyl-1,3-thiazol-2(3H)-ylidene]thiourea

  • Molecular FormulaC9H13N3S2
  • Average mass227.350 Da
  • Monoisotopic mass227.055084 Da
  • ChemSpider ID22845938

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Allyl-3-[(2E)-3,4-dimethyl-1,3-thiazol-2(3H)-yliden]thioharnstoff [German] [ACD/IUPAC Name]
1-Allyl-3-[(2E)-3,4-dimethyl-1,3-thiazol-2(3H)-ylidene]thiourea [ACD/IUPAC Name]
1-Allyl-3-[(2E)-3,4-diméthyl-1,3-thiazol-2(3H)-ylidène]thiourée [French] [ACD/IUPAC Name]
Thiourea, N-[(2E)-3,4-dimethyl-2(3H)-thiazolylidene]-N'-2-propen-1-yl- [ACD/Index Name]
(1E)-1-(3,4-dimethyl-1,3-thiazol-2-ylidene)-3-prop-2-enylthiourea
1-[(2E)-3,4-dimethyl-1,3-thiazol-2(3H)-ylidene]-3-prop-2-en-1-ylthiourea
1-Allyl-3-(3,4-dimethyl-3H-thiazol-2-ylidene)-thiourea
327078-83-1 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 323.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.5±3.0 kJ/mol
    Flash Point: 149.1±25.9 °C
    Index of Refraction: 1.614
    Molar Refractivity: 66.1±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.10
    ACD/LogD (pH 5.5): 1.53
    ACD/BCF (pH 5.5): 8.50
    ACD/KOC (pH 5.5): 161.06
    ACD/LogD (pH 7.4): 1.53
    ACD/BCF (pH 7.4): 8.50
    ACD/KOC (pH 7.4): 161.06
    Polar Surface Area: 85 Å2
    Polarizability: 26.2±0.5 10-24cm3
    Surface Tension: 39.7±7.0 dyne/cm
    Molar Volume: 189.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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