ChemSpider 2D Image | 2-{[Cyclohexyl(methyl)amino]methyl}benzenethiol | C14H21NS

2-{[Cyclohexyl(methyl)amino]methyl}benzenethiol

  • Molecular FormulaC14H21NS
  • Average mass235.388 Da
  • Monoisotopic mass235.139465 Da
  • ChemSpider ID35326575

More details:

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

2-{[Cyclohexyl(methyl)amino]methyl}benzenethiol [ACD/IUPAC Name]
2-{[Cyclohexyl(méthyl)amino]méthyl}benzènethiol [French] [ACD/IUPAC Name]
2-{[Cyclohexyl(methyl)amino]methyl}benzolthiol [German] [ACD/IUPAC Name]
Benzenethiol, 2-[(cyclohexylmethylamino)methyl]- [ACD/Index Name]
1443303-89-6 [RN]
2-((Cyclohexyl(methyl)amino)methyl)benzenethiol
2-[(N-Methylcyclohexylamino)methyl]thiophenol
2-{[CYCLOHEXYL(METHYL)AMINO]METHYL}BENZENE-1-THIOL
atoms 16 bonds 17
MFCD22373557

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

Density: 1.1±0.1 g/cm3
Boiling Point: 343.1±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 161.3±20.9 °C
Index of Refraction: 1.571
Molar Refractivity: 73.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.49
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 2.37
ACD/KOC (pH 7.4): 15.29
Polar Surface Area: 42 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 223.7±5.0 cm3

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