ChemSpider 2D Image | S-Isopropyl (2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanethioate | C11H21NO3S

S-Isopropyl (2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanethioate

  • Molecular FormulaC11H21NO3S
  • Average mass247.354 Da
  • Monoisotopic mass247.124207 Da
  • ChemSpider ID44254534

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)propanethioate de S-isopropyle [French] [ACD/IUPAC Name]
Propanethioic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, S-(1-methylethyl) ester, (2S)- [ACD/Index Name]
S-Isopropyl (2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanethioate [ACD/IUPAC Name]
S-Isopropyl-(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanthioat [German] [ACD/IUPAC Name]
(S)-S-Isopropyl 2-((tert-butoxycarbonyl)amino)propanethioate
1850380-77-6 [RN]
MFCD29477720
S-isopropyl (S)-2-((tert-butoxycarbonyl)amino)propanethioate
tert-butyl N-[(2S)-1-(isopropylsulfanyl)-1-oxopropan-2-yl]carbamate
tert-butyl N-[(2S)-1-oxo-1-(propan-2-ylsulfanyl)propan-2-yl]carbamate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 332.4±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.5±3.0 kJ/mol
    Flash Point: 154.8±23.2 °C
    Index of Refraction: 1.478
    Molar Refractivity: 66.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.99
    ACD/LogD (pH 5.5): 3.07
    ACD/BCF (pH 5.5): 126.52
    ACD/KOC (pH 5.5): 1112.59
    ACD/LogD (pH 7.4): 3.07
    ACD/BCF (pH 7.4): 126.49
    ACD/KOC (pH 7.4): 1112.33
    Polar Surface Area: 81 Å2
    Polarizability: 26.3±0.5 10-24cm3
    Surface Tension: 34.6±3.0 dyne/cm
    Molar Volume: 234.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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