ChemSpider 2D Image | 4-(sec-Butylsulfanyl)-2-methylaniline | C11H17NS

4-(sec-Butylsulfanyl)-2-methylaniline

  • Molecular FormulaC11H17NS
  • Average mass195.324 Da
  • Monoisotopic mass195.108170 Da
  • ChemSpider ID25996670

More details:






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

4-(sec-Butylsulfanyl)-2-methylanilin [German] [ACD/IUPAC Name]
4-(sec-Butylsulfanyl)-2-methylaniline [ACD/IUPAC Name]
4-(sec-Butylsulfanyl)-2-méthylaniline [French] [ACD/IUPAC Name]
Benzenamine, 2-methyl-4-[(1-methylpropyl)thio]- [ACD/Index Name]
1155084-80-2 [RN]
2-METHYL-4-(SEC-BUTYLSULFANYL)ANILINE
4-(butan-2-ylsulfanyl)-2-methylaniline
MFCD12169278 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 315.6±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.7±3.0 kJ/mol
Flash Point: 144.7±22.3 °C
Index of Refraction: 1.561
Molar Refractivity: 61.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 214.07
ACD/KOC (pH 5.5): 1594.16
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 226.91
ACD/KOC (pH 7.4): 1689.77
Polar Surface Area: 51 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 189.8±5.0 cm3

Click to predict properties on the Chemicalize site






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