ChemSpider 2D Image | 1-[4-Methyl-2,5-bis(methylsulfanyl)phenyl]-2-propanamine | C12H19NS2

1-[4-Methyl-2,5-bis(methylsulfanyl)phenyl]-2-propanamine

  • Molecular FormulaC12H19NS2
  • Average mass241.416 Da
  • Monoisotopic mass241.095886 Da
  • ChemSpider ID21106269

More details:






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

1-[4-Methyl-2,5-bis(methylsulfanyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
1-[4-Methyl-2,5-bis(methylsulfanyl)phenyl]-2-propanamine [ACD/IUPAC Name]
1-[4-Méthyl-2,5-bis(méthylsulfanyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α,4-dimethyl-2,5-bis(methylthio)- [ACD/Index Name]
1-(4-methyl-2,5-bis(methylthio)phenyl)propan-2-amine
1-[4-methyl-2,5-bis(methylsulfanyl)phenyl]propan-2-amine
765225-27-2 [RN]
BIS-TOM
CHEMBL464850

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

Density: 1.1±0.1 g/cm3
Boiling Point: 343.2±42.0 °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: 161.4±27.9 °C
Index of Refraction: 1.590
Molar Refractivity: 74.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.83
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 1.57
ACD/KOC (pH 7.4): 10.59
Polar Surface Area: 77 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 219.8±5.0 cm3

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