ChemSpider 2D Image | 2-Amino-5-benzyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole-3-carbonitrile | C14H13N3S

2-Amino-5-benzyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole-3-carbonitrile

  • Molecular FormulaC14H13N3S
  • Average mass255.338 Da
  • Monoisotopic mass255.083023 Da
  • ChemSpider ID30768843

More details:

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

2-Amino-5-benzyl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-3-carbonitril [German] [ACD/IUPAC Name]
2-Amino-5-benzyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole-3-carbonitrile [ACD/IUPAC Name]
2-Amino-5-benzyl-5,6-dihydro-4H-thiéno[2,3-c]pyrrole-3-carbonitrile [French] [ACD/IUPAC Name]
4H-Thieno[2,3-c]pyrrole-3-carbonitrile, 2-amino-5,6-dihydro-5-(phenylmethyl)- [ACD/Index Name]
1428233-42-4 [RN]
2-amino-5-benzyl-4,6-dihydrothieno[2,3-c]pyrrole-3-carbonitrile
2-amino-5-benzyl-4H,5H,6H-thieno[2,3-c]pyrrole-3-carbonitrile
F2158-1616
MFCD24387762

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 447.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.6±3.0 kJ/mol
    Flash Point: 224.7±28.7 °C
    Index of Refraction: 1.701
    Molar Refractivity: 73.5±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.20
    ACD/LogD (pH 5.5): 2.19
    ACD/BCF (pH 5.5): 26.03
    ACD/KOC (pH 5.5): 342.40
    ACD/LogD (pH 7.4): 2.26
    ACD/BCF (pH 7.4): 30.59
    ACD/KOC (pH 7.4): 402.46
    Polar Surface Area: 81 Å2
    Polarizability: 29.1±0.5 10-24cm3
    Surface Tension: 71.9±5.0 dyne/cm
    Molar Volume: 189.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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