ChemSpider 2D Image | 2-Amino-4-isobutyl-5-isopropyl-3-thiophenecarbonitrile | C12H18N2S

2-Amino-4-isobutyl-5-isopropyl-3-thiophenecarbonitrile

  • Molecular FormulaC12H18N2S
  • Average mass222.350 Da
  • Monoisotopic mass222.119064 Da
  • ChemSpider ID21468217

More details:

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

2-Amino-4-isobutyl-5-isopropyl-3-thiophencarbonitril [German] [ACD/IUPAC Name]
2-Amino-4-isobutyl-5-isopropyl-3-thiophenecarbonitrile [ACD/IUPAC Name]
2-Amino-4-isobutyl-5-isopropyl-3-thiophènecarbonitrile [French] [ACD/IUPAC Name]
3-Thiophenecarbonitrile, 2-amino-5-(1-methylethyl)-4-(2-methylpropyl)- [ACD/Index Name]
2-amino-4-(2-methylpropyl)-5-(propan-2-yl)thiophene-3-carbonitrile
2-amino-4-(2-methylpropyl)-5-propan-2-ylthiophene-3-carbonitrile
2-amino-4-isobutyl-5-isopropyl-3-thienyl cyanide
2-amino-4-isobutyl-5-isopropylthiophene-3-carbonitrile
2-AMINO-5-ISOPROPYL-4-(2-METHYLPROPYL)THIOPHENE-3-CARBONITRILE
952958-74-6 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 331.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.4±3.0 kJ/mol
Flash Point: 154.2±27.9 °C
Index of Refraction: 1.539
Molar Refractivity: 65.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 304.21
ACD/KOC (pH 5.5): 2084.79
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 304.21
ACD/KOC (pH 7.4): 2084.79
Polar Surface Area: 78 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 209.0±5.0 cm3

Click to predict properties on the Chemicalize site


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