ChemSpider 2D Image | 3-({2-[(3-Thienylmethyl)amino]ethyl}sulfanyl)-1-propanol | C10H17NOS2

3-({2-[(3-Thienylmethyl)amino]ethyl}sulfanyl)-1-propanol

  • Molecular FormulaC10H17NOS2
  • Average mass231.378 Da
  • Monoisotopic mass231.075150 Da
  • ChemSpider ID49970323

More details:

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

1-Propanol, 3-[[2-[(3-thienylmethyl)amino]ethyl]thio]- [ACD/Index Name]
3-({2-[(3-Thienylmethyl)amino]ethyl}sulfanyl)-1-propanol [German] [ACD/IUPAC Name]
3-({2-[(3-Thienylmethyl)amino]ethyl}sulfanyl)-1-propanol [ACD/IUPAC Name]
3-({2-[(3-Thiénylméthyl)amino]éthyl}sulfanyl)-1-propanol [French] [ACD/IUPAC Name]
1601553-73-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 366.3±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 175.3±25.1 °C
Index of Refraction: 1.579
Molar Refractivity: 65.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.34
Polar Surface Area: 86 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 198.0±3.0 cm3

Click to predict properties on the Chemicalize site


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