ChemSpider 2D Image | (4S,6R)-6-Methyl-2-thioxohexahydro-4-pyrimidinecarboxylic acid | C6H10N2O2S

(4S,6R)-6-Methyl-2-thioxohexahydro-4-pyrimidinecarboxylic acid

  • Molecular FormulaC6H10N2O2S
  • Average mass174.221 Da
  • Monoisotopic mass174.046295 Da
  • ChemSpider ID22823953

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinane-4-carboxylic acid
(4S,6R)-6-Methyl-2-thioxohexahydro-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
(4S,6R)-6-Methyl-2-thioxohexahydro-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
1931958-05-2 [RN]
4-Pyrimidinecarboxylic acid, hexahydro-6-methyl-2-thioxo-, (4S,6R)- [ACD/Index Name]
Acide (4S,6R)-6-méthyl-2-thioxohexahydro-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
(4S,6R)-6-Methyl-2-sulfanylidenehexahydropyrimidine-4-carboxylic acid
(4S,6R)-6-methyl-2-thioxohexahydropyrimidine-4-carboxylic acid
155782-52-8 [RN]
MFCD08060073 [MDL number]
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 324.7±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 62.3±6.0 kJ/mol
    Flash Point: 150.2±30.7 °C
    Index of Refraction: 1.611
    Molar Refractivity: 43.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.82
    ACD/LogD (pH 5.5): -2.51
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 93 Å2
    Polarizability: 17.4±0.5 10-24cm3
    Surface Tension: 67.7±5.0 dyne/cm
    Molar Volume: 126.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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