ChemSpider 2D Image | 3-(1-Pyrrolidinylmethyl)benzenethiol | C11H15NS

3-(1-Pyrrolidinylmethyl)benzenethiol

  • Molecular FormulaC11H15NS
  • Average mass193.309 Da
  • Monoisotopic mass193.092514 Da
  • ChemSpider ID23361066

More details:

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

1211506-10-3 [RN]
3-(1-Pyrrolidinylmethyl)benzenethiol [ACD/IUPAC Name]
3-(1-Pyrrolidinylméthyl)benzènethiol [French] [ACD/IUPAC Name]
3-(1-Pyrrolidinylmethyl)benzolthiol [German] [ACD/IUPAC Name]
3-(Pyrrolidin-1-ylmethyl)benzenethiol
3-[(PYRROLIDIN-1-YL)METHYL]BENZENE-1-THIOL
Benzenethiol, 3-(1-pyrrolidinylmethyl)- [ACD/Index Name]
3-(1-Pyrrolidinylmethyl)thiophenol
3-[(1-Pyrrolidino)methyl]thiophenol
3-[(1-Pyrrolindino)methyl]thiophenol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 290.4±15.0 °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: 129.4±20.4 °C
Index of Refraction: 1.612
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.80
Polar Surface Area: 42 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 170.7±3.0 cm3

Click to predict properties on the Chemicalize site


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