ChemSpider 2D Image | 1-[2-Hydroxy-2-methyl-4-(methylsulfanyl)butyl]-3-(2-thienylmethyl)urea | C12H20N2O2S2

1-[2-Hydroxy-2-methyl-4-(methylsulfanyl)butyl]-3-(2-thienylmethyl)urea

  • Molecular FormulaC12H20N2O2S2
  • Average mass288.429 Da
  • Monoisotopic mass288.096619 Da
  • ChemSpider ID30745361

More details:

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

1-[2-Hydroxy-2-methyl-4-(methylsulfanyl)butyl]-3-(2-thienylmethyl)harnstoff [German] [ACD/IUPAC Name]
1-[2-Hydroxy-2-methyl-4-(methylsulfanyl)butyl]-3-(2-thienylmethyl)urea [ACD/IUPAC Name]
1-[2-Hydroxy-2-méthyl-4-(méthylsulfanyl)butyl]-3-(2-thiénylméthyl)urée [French] [ACD/IUPAC Name]
Urea, N-[2-hydroxy-2-methyl-4-(methylthio)butyl]-N'-(2-thienylmethyl)- [ACD/Index Name]
1-(2-hydroxy-2-methyl-4-(methylthio)butyl)-3-(thiophen-2-ylmethyl)urea
1396813-76-5 [RN]
3-[2-hydroxy-2-methyl-4-(methylsulfanyl)butyl]-1-[(thiophen-2-yl)methyl]urea

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

Density: 1.2±0.1 g/cm3
Boiling Point: 517.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 266.9±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 78.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.11
ACD/KOC (pH 5.5): 287.55
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.11
ACD/KOC (pH 7.4): 287.54
Polar Surface Area: 115 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 237.0±3.0 cm3

Click to predict properties on the Chemicalize site


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