ChemSpider 2D Image | 2-(2-Aminoethyl)-4-methylbenzenethiol | C9H13NS

2-(2-Aminoethyl)-4-methylbenzenethiol

  • Molecular FormulaC9H13NS
  • Average mass167.271 Da
  • Monoisotopic mass167.076874 Da
  • ChemSpider ID60758593

More details:

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

2-(2-Aminoethyl)-4-methylbenzenethiol [ACD/IUPAC Name]
2-(2-Aminoéthyl)-4-méthylbenzènethiol [French] [ACD/IUPAC Name]
2-(2-Aminoethyl)-4-methylbenzolthiol [German] [ACD/IUPAC Name]
Benzenethiol, 2-(2-aminoethyl)-4-methyl- [ACD/Index Name]
857246-03-8 [RN]
MFCD20712211

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

Density: 1.1±0.1 g/cm3
Boiling Point: 290.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.0±3.0 kJ/mol
Flash Point: 129.3±23.2 °C
Index of Refraction: 1.591
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 65 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 154.8±3.0 cm3

Click to predict properties on the Chemicalize site


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