ChemSpider 2D Image | tert-butyl N-[(2-bromo-1,3-thiazol-5-yl)methyl]carbamate | C9H13BrN2O2S

tert-butyl N-[(2-bromo-1,3-thiazol-5-yl)methyl]carbamate

  • Molecular FormulaC9H13BrN2O2S
  • Average mass293.181 Da
  • Monoisotopic mass291.988098 Da
  • ChemSpider ID38772888

More details:

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

[(2-Bromo-1,3-thiazol-5-yl)méthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2-bromo-1,3-thiazol-5-yl)methyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2-brom-1,3-thiazol-5-yl)methyl]carbamat [German] [ACD/IUPAC Name]
519003-04-4 [RN]
Carbamic acid, N-[(2-bromo-5-thiazolyl)methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl N-[(2-bromo-1,3-thiazol-5-yl)methyl]carbamate
CC(C)(OC(NCC1=CN=C(Br)S1)=O)C
GS-5456
MFCD20923801
t-Butyl ((2-bromothiazol-5-yl)methyl)carbamate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 382.3±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.1±3.0 kJ/mol
    Flash Point: 185.0±23.2 °C
    Index of Refraction: 1.553
    Molar Refractivity: 63.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.60
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 45.31
    ACD/KOC (pH 5.5): 533.47
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 45.31
    ACD/KOC (pH 7.4): 533.42
    Polar Surface Area: 79 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 45.7±3.0 dyne/cm
    Molar Volume: 199.5±3.0 cm3

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