ChemSpider 2D Image | 3-[(Dibutylamino)methyl]benzenethiol | C15H25NS

3-[(Dibutylamino)methyl]benzenethiol

  • Molecular FormulaC15H25NS
  • Average mass251.431 Da
  • Monoisotopic mass251.170776 Da
  • ChemSpider ID35331217

More details:

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

3-[(Dibutylamino)methyl]benzenethiol [ACD/IUPAC Name]
3-[(Dibutylamino)méthyl]benzènethiol [French] [ACD/IUPAC Name]
3-[(Dibutylamino)methyl]benzolthiol [German] [ACD/IUPAC Name]
Benzenethiol, 3-[(dibutylamino)methyl]- [ACD/Index Name]
1443303-81-8 [RN]
3-[(DIBUTYLAMINO)METHYL]BENZENE-1-THIOL
3-[(Di-n-butylamino)methyl]thiophenol
atoms 17 bonds 17
MFCD22373553

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

Density: 1.0±0.1 g/cm3
Boiling Point: 337.5±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.1±3.0 kJ/mol
Flash Point: 157.9±20.9 °C
Index of Refraction: 1.534
Molar Refractivity: 80.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 2.84
ACD/KOC (pH 5.5): 11.93
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 8.55
ACD/KOC (pH 7.4): 35.88
Polar Surface Area: 42 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 257.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement