ChemSpider 2D Image | 3-{[Butyl(ethyl)amino]methyl}benzenethiol | C13H21NS

3-{[Butyl(ethyl)amino]methyl}benzenethiol

  • Molecular FormulaC13H21NS
  • Average mass223.378 Da
  • Monoisotopic mass223.139465 Da
  • ChemSpider ID35325666

More details:






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

1443328-87-7 [RN]
3-{[Butyl(ethyl)amino]methyl}benzenethiol [ACD/IUPAC Name]
3-{[Butyl(éthyl)amino]méthyl}benzènethiol [French] [ACD/IUPAC Name]
3-{[Butyl(ethyl)amino]methyl}benzolthiol [German] [ACD/IUPAC Name]
Benzenethiol, 3-[(butylethylamino)methyl]- [ACD/Index Name]
3-[(N-Ethyl-n-butylamino)methyl]thiophenol
3-{[BUTYL(ETHYL)AMINO]METHYL}BENZENE-1-THIOL
atoms 15 bonds 15
MFCD22370302

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

Density: 1.0±0.1 g/cm3
Boiling Point: 304.7±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.5±3.0 kJ/mol
Flash Point: 138.1±20.9 °C
Index of Refraction: 1.543
Molar Refractivity: 70.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.24
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 1.95
ACD/KOC (pH 7.4): 12.34
Polar Surface Area: 42 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 224.6±3.0 cm3

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