ChemSpider 2D Image | 2-(1-Benzyl-3-piperidinyl)ethanethiol | C14H21NS

2-(1-Benzyl-3-piperidinyl)ethanethiol

  • Molecular FormulaC14H21NS
  • Average mass235.388 Da
  • Monoisotopic mass235.139465 Da
  • ChemSpider ID29302869

More details:

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

2-(1-Benzyl-3-piperidinyl)ethanethiol [ACD/IUPAC Name]
2-(1-Benzyl-3-pipéridinyl)éthanethiol [French] [ACD/IUPAC Name]
2-(1-Benzyl-3-piperidinyl)ethanthiol [German] [ACD/IUPAC Name]
3-Piperidineethanethiol, 1-(phenylmethyl)- [ACD/Index Name]
1420788-28-8 [RN]
2-(1-benzylpiperidin-3-yl)ethane-1-thiol
2-(1-benzylpiperidin-3-yl)ethanethiol
MFCD24381615

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

Density: 1.0±0.1 g/cm3
Boiling Point: 336.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.0±3.0 kJ/mol
Flash Point: 157.2±20.4 °C
Index of Refraction: 1.555
Molar Refractivity: 73.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.79
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 4.88
ACD/KOC (pH 7.4): 36.40
Polar Surface Area: 42 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 227.4±3.0 cm3

Click to predict properties on the Chemicalize site


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