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

2-[(Diisobutylamino)methyl]benzenethiol

  • Molecular FormulaC15H25NS
  • Average mass251.431 Da
  • Monoisotopic mass251.170776 Da
  • ChemSpider ID35330433

More details:

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

2-[(Diisobutylamino)methyl]benzenethiol [ACD/IUPAC Name]
2-[(Diisobutylamino)méthyl]benzènethiol [French] [ACD/IUPAC Name]
2-[(Diisobutylamino)methyl]benzolthiol [German] [ACD/IUPAC Name]
Benzenethiol, 2-[[bis(2-methylpropyl)amino]methyl]- [ACD/Index Name]
1443346-40-4 [RN]
2-[(Di-iso-butylamino)methyl]thiophenol
2-{[BIS(2-METHYLPROPYL)AMINO]METHYL}BENZENE-1-THIOL
2-{[BIS(2-METHYLPROPYL)AMINO]METHYL}BENZENETHIOL
atoms 17 bonds 17
MFCD22373565

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

Density: 1.0±0.1 g/cm3
Boiling Point: 327.3±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.0±3.0 kJ/mol
Flash Point: 151.7±20.9 °C
Index of Refraction: 1.532
Molar Refractivity: 80.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 3.72
ACD/KOC (pH 5.5): 16.28
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 16.51
ACD/KOC (pH 7.4): 72.28
Polar Surface Area: 42 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 258.4±3.0 cm3

Click to predict properties on the Chemicalize site


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