ChemSpider 2D Image | 3-(2-Aminoethylthio)Propanol | C5H13NOS

3-(2-Aminoethylthio)Propanol

  • Molecular FormulaC5H13NOS
  • Average mass135.228 Da
  • Monoisotopic mass135.071777 Da
  • ChemSpider ID25904658

More details:

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

121519-97-9 [RN]
1-Propanol, 3-[(2-aminoethyl)thio]- [ACD/Index Name]
3-(2-Aminoethylthio)Propanol
3-[(2-Aminoethyl)sulfanyl]-1-propanol [ACD/IUPAC Name]
3-[(2-Aminoethyl)sulfanyl]-1-propanol [German] [ACD/IUPAC Name]
3-[(2-Aminoéthyl)sulfanyl]-1-propanol [French] [ACD/IUPAC Name]
3-[(2-aminoethyl)sulfanyl]propan-1-ol
MFCD11619783 [MDL number]

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

S4RJ2D502S [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 240.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.4±6.0 kJ/mol
Flash Point: 99.0±21.8 °C
Index of Refraction: 1.519
Molar Refractivity: 38.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -3.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 72 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 126.2±3.0 cm3

Click to predict properties on the Chemicalize site


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