Found 2941 results

Search term: MF = 'C_{12}H_{17}BrN_{2}O_{2}S'
ChemSpider 2D Image | tert-butyl 2-bromo-4H,5H,6H,7H,8H-[1,3]thiazolo[4,5-d]azepine-6-carboxylate | C12H17BrN2O2S

tert-butyl 2-bromo-4H,5H,6H,7H,8H-[1,3]thiazolo[4,5-d]azepine-6-carboxylate

  • Molecular FormulaC12H17BrN2O2S
  • Average mass333.245 Da
  • Monoisotopic mass332.019409 Da
  • ChemSpider ID29278771

More details:

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

1352925-59-7 [RN]
2-Bromo-4,5,7,8-tétrahydro-6H-[1,3]thiazolo[4,5-d]azépine-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-bromo-4,5,7,8-tetrahydro-6H-[1,3]thiazolo[4,5-d]azepine-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-brom-4,5,7,8-tetrahydro-6H-[1,3]thiazolo[4,5-d]azepin-6-carboxylat [German] [ACD/IUPAC Name]
6H-Thiazolo[4,5-d]azepine-6-carboxylic acid, 2-bromo-4,5,7,8-tetrahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 2-bromo-4H,5H,6H,7H,8H-[1,3]thiazolo[4,5-d]azepine-6-carboxylate
MFCD21099587
t-Butyl 2-bromo-4,5,7,8-tetrahydrothiazolo[5,4-d]azepine-6-carboxylate
tert-butyl 2-bromo-4,5,7,8-tetrahydro-6H-thiazolo[4,5-d]azepine-6-carboxylate
tert-Butyl 2-bromo-4,5,7,8-tetrahydrothiazolo[5,4-d]azepine-6-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 405.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.7±3.0 kJ/mol
    Flash Point: 199.1±28.7 °C
    Index of Refraction: 1.568
    Molar Refractivity: 75.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.23
    ACD/LogD (pH 5.5): 3.31
    ACD/BCF (pH 5.5): 194.31
    ACD/KOC (pH 5.5): 1512.55
    ACD/LogD (pH 7.4): 3.31
    ACD/BCF (pH 7.4): 194.32
    ACD/KOC (pH 7.4): 1512.62
    Polar Surface Area: 71 Å2
    Polarizability: 30.0±0.5 10-24cm3
    Surface Tension: 49.3±3.0 dyne/cm
    Molar Volume: 231.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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