ChemSpider 2D Image | 4-(Benzylsulfanyl)-1-(cyclopropylmethyl)-3,5-dimethyl-1H-pyrazole | C16H20N2S

4-(Benzylsulfanyl)-1-(cyclopropylmethyl)-3,5-dimethyl-1H-pyrazole

  • Molecular FormulaC16H20N2S
  • Average mass272.408 Da
  • Monoisotopic mass272.134705 Da
  • ChemSpider ID34211186

More details:

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

1H-Pyrazole, 1-(cyclopropylmethyl)-3,5-dimethyl-4-[(phenylmethyl)thio]- [ACD/Index Name]
4-(Benzylsulfanyl)-1-(cyclopropylmethyl)-3,5-dimethyl-1H-pyrazol [German] [ACD/IUPAC Name]
4-(Benzylsulfanyl)-1-(cyclopropylmethyl)-3,5-dimethyl-1H-pyrazole [ACD/IUPAC Name]
4-(Benzylsulfanyl)-1-(cyclopropylméthyl)-3,5-diméthyl-1H-pyrazole [French] [ACD/IUPAC Name]
1803598-31-3 [RN]
MFCD26935956

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

Density: 1.2±0.1 g/cm3
Boiling Point: 392.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 61.7±3.0 kJ/mol
Flash Point: 191.3±27.9 °C
Index of Refraction: 1.632
Molar Refractivity: 83.1±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1025.11
ACD/KOC (pH 5.5): 4973.66
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1025.39
ACD/KOC (pH 7.4): 4975.02
Polar Surface Area: 43 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 232.9±7.0 cm3

Click to predict properties on the Chemicalize site


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