ChemSpider 2D Image | 2-Sulfanyl-4-pyrimidinecarbonitrile | C5H3N3S

2-Sulfanyl-4-pyrimidinecarbonitrile

  • Molecular FormulaC5H3N3S
  • Average mass137.162 Da
  • Monoisotopic mass137.004761 Da
  • ChemSpider ID35473706

More details:

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

1330755-49-1 [RN]
2-Sulfanyl-4-pyrimidincarbonitril [German] [ACD/IUPAC Name]
2-Sulfanyl-4-pyrimidinecarbonitrile [ACD/IUPAC Name]
2-Sulfanyl-4-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
4-Pyrimidinecarbonitrile, 2,3-dihydro-2-thioxo-
4-Pyrimidinecarbonitrile, 2-mercapto- [ACD/Index Name]
2-Mercapto-pyrimidine-4-carbonitrile
2-sulfanylidene-1H-pyrimidine-6-carbonitrile
MFCD19981681
SCHEMBL11497209

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 340.8±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.4±3.0 kJ/mol
    Flash Point: 159.9±25.7 °C
    Index of Refraction: 1.613
    Molar Refractivity: 34.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -1.67
    ACD/LogD (pH 5.5): -2.97
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 88 Å2
    Polarizability: 13.8±0.5 10-24cm3
    Surface Tension: 76.6±5.0 dyne/cm
    Molar Volume: 99.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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