ChemSpider 2D Image | 2-METHYL-4H,5H,6H-PYRROLO[3,4-D][1,3]THIAZOLE | C6H8N2S

2-METHYL-4H,5H,6H-PYRROLO[3,4-D][1,3]THIAZOLE

  • Molecular FormulaC6H8N2S
  • Average mass140.206 Da
  • Monoisotopic mass140.040817 Da
  • ChemSpider ID26000557

More details:

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

2-METHYL-4H,5H,6H-PYRROLO[3,4-D][1,3]THIAZOLE
2-Methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol [German] [ACD/IUPAC Name]
2-Methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole [ACD/IUPAC Name]
2-Méthyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole [French] [ACD/IUPAC Name]
2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]thiazole
4H-Pyrrolo[3,4-d]thiazole, 5,6-dihydro-2-methyl- [ACD/Index Name]
773031-79-1 [RN]
MFCD06738528 [MDL number]
[773031-79-1] [RN]
1187932-70-2 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 237.8±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.5±3.0 kJ/mol
    Flash Point: 97.6±24.6 °C
    Index of Refraction: 1.593
    Molar Refractivity: 38.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.11
    ACD/LogD (pH 5.5): -0.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.95
    ACD/LogD (pH 7.4): 0.65
    ACD/BCF (pH 7.4): 1.82
    ACD/KOC (pH 7.4): 52.67
    Polar Surface Area: 53 Å2
    Polarizability: 15.2±0.5 10-24cm3
    Surface Tension: 49.5±3.0 dyne/cm
    Molar Volume: 113.5±3.0 cm3

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