ChemSpider 2D Image | tert-Butyl {(2S)-1-hydroxy-3-[(4-methylbenzyl)sulfanyl]propan-2-yl}carbamate | C16H25NO3S

tert-Butyl {(2S)-1-hydroxy-3-[(4-methylbenzyl)sulfanyl]propan-2-yl}carbamate

  • Molecular FormulaC16H25NO3S
  • Average mass311.440 Da
  • Monoisotopic mass311.155518 Da
  • ChemSpider ID24603102
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

{(2S)-1-Hydroxy-3-[(4-méthylbenzyl)sulfanyl]-2-propanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2S)-1-hydroxy-3-[(4-methylbenzyl)sulfanyl]-2-propanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S)-1-hydroxy-3-[(4-methylbenzyl)sulfanyl]-2-propanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-hydroxy-1-[[[(4-methylphenyl)methyl]thio]methyl]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl {(2S)-1-hydroxy-3-[(4-methylbenzyl)sulfanyl]propan-2-yl}carbamate
(S)-tert-Butyl (1-hydroxy-3-((4-methylbenzyl)thio)propan-2-yl)carbamate
[1233495-05-0]
1233495-05-0 [RN]
129397-85-9 [RN]
129397-85-9??
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 457.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 230.2±28.7 °C
Index of Refraction: 1.544
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 432.01
ACD/KOC (pH 5.5): 2679.71
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 431.98
ACD/KOC (pH 7.4): 2679.52
Polar Surface Area: 84 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 278.3±3.0 cm3

Click to predict properties on the Chemicalize site






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