ChemSpider 2D Image | 1-(2-Octanyl)-3-(2,4,4-trimethyl-2-pentanyl)thiourea | C17H36N2S

1-(2-Octanyl)-3-(2,4,4-trimethyl-2-pentanyl)thiourea

  • Molecular FormulaC17H36N2S
  • Average mass300.546 Da
  • Monoisotopic mass300.259918 Da
  • ChemSpider ID57521052

More details:

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

1-(2-Octanyl)-3-(2,4,4-trimethyl-2-pentanyl)thioharnstoff [German] [ACD/IUPAC Name]
1-(2-Octanyl)-3-(2,4,4-trimethyl-2-pentanyl)thiourea [ACD/IUPAC Name]
1-(2-Octanyl)-3-(2,4,4-triméthyl-2-pentanyl)thiourée [French] [ACD/IUPAC Name]
Thiourea, N-(1-methylheptyl)-N'-(1,1,3,3-tetramethylbutyl)- [ACD/Index Name]
1-(OCTAN-2-YL)-3-(2,4,4-TRIMETHYLPENTAN-2-YL)THIOUREA
62549-35-3 [RN]
N-Octan-2-yl-N'-(2,4,4-trimethylpentan-2-yl)thiourea

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

Density: 0.9±0.1 g/cm3
Boiling Point: 364.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 174.2±23.2 °C
Index of Refraction: 1.485
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 22610.96
ACD/KOC (pH 5.5): 45541.14
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22611.51
ACD/KOC (pH 7.4): 45542.24
Polar Surface Area: 56 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 332.2±3.0 cm3

Click to predict properties on the Chemicalize site


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