ChemSpider 2D Image | 2-(Methylamino)-1-phenyl-1-propanethiol | C10H15NS

2-(Methylamino)-1-phenyl-1-propanethiol

  • Molecular FormulaC10H15NS
  • Average mass181.298 Da
  • Monoisotopic mass181.092514 Da
  • ChemSpider ID60611254

More details:






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

2-(Methylamino)-1-phenyl-1-propanethiol [ACD/IUPAC Name]
2-(Méthylamino)-1-phényl-1-propanethiol [French] [ACD/IUPAC Name]
2-(Methylamino)-1-phenyl-1-propanthiol [German] [ACD/IUPAC Name]
Benzenemethanethiol, α-[1-(methylamino)ethyl]- [ACD/Index Name]
2081-07-4 [RN]
4389-42-8 [RN]
69321-41-1 [RN]
MFCD20666336

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 260.0±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.8±3.0 kJ/mol
Flash Point: 111.1±21.8 °C
Index of Refraction: 1.543
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.59
Polar Surface Area: 51 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 179.3±3.0 cm3

Click to predict properties on the Chemicalize site






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