ChemSpider 2D Image | (1S)-1-(2,5-Dichloro-3-thienyl)-1-propanamine | C7H9Cl2NS

(1S)-1-(2,5-Dichloro-3-thienyl)-1-propanamine

  • Molecular FormulaC7H9Cl2NS
  • Average mass210.124 Da
  • Monoisotopic mass208.983276 Da
  • ChemSpider ID40944081

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(2,5-Dichlor-3-thienyl)-1-propanamin [German] [ACD/IUPAC Name]
(1S)-1-(2,5-Dichloro-3-thienyl)-1-propanamine [ACD/IUPAC Name]
(1S)-1-(2,5-Dichloro-3-thiényl)-1-propanamine [French] [ACD/IUPAC Name]
3-Thiophenemethanamine, 2,5-dichloro-α-ethyl-, (αS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 262.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.0±3.0 kJ/mol
Flash Point: 112.2±25.9 °C
Index of Refraction: 1.581
Molar Refractivity: 52.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.38
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 5.68
ACD/KOC (pH 7.4): 59.08
Polar Surface Area: 54 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 156.6±3.0 cm3

Click to predict properties on the Chemicalize site


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