ChemSpider 2D Image | (4-Chloro-1,3-thiazol-2-yl)acetonitrile | C5H3ClN2S

(4-Chloro-1,3-thiazol-2-yl)acetonitrile

  • Molecular FormulaC5H3ClN2S
  • Average mass158.609 Da
  • Monoisotopic mass157.970551 Da
  • ChemSpider ID61103282

More details:

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

(4-Chlor-1,3-thiazol-2-yl)acetonitril [German] [ACD/IUPAC Name]
(4-Chloro-1,3-thiazol-2-yl)acetonitrile [ACD/IUPAC Name]
(4-Chloro-1,3-thiazol-2-yl)acétonitrile [French] [ACD/IUPAC Name]
2-Thiazoleacetonitrile, 4-chloro- [ACD/Index Name]
1433708-74-7 [RN]
2-(4-CHLOROTHIAZOL-2-YL)ACETONITRILE
MFCD28668995

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 278.8±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.7±3.0 kJ/mol
    Flash Point: 122.4±21.8 °C
    Index of Refraction: 1.587
    Molar Refractivity: 37.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.17
    ACD/LogD (pH 5.5): 1.16
    ACD/BCF (pH 5.5): 4.48
    ACD/KOC (pH 5.5): 101.80
    ACD/LogD (pH 7.4): 1.16
    ACD/BCF (pH 7.4): 4.48
    ACD/KOC (pH 7.4): 101.80
    Polar Surface Area: 65 Å2
    Polarizability: 14.7±0.5 10-24cm3
    Surface Tension: 58.8±3.0 dyne/cm
    Molar Volume: 110.3±3.0 cm3

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