ChemSpider 2D Image | 1-Isopropyl-3-{[1-methyl-4-(2-thienyl)-3-pyrrolidinyl]methyl}thiourea | C14H23N3S2

1-Isopropyl-3-{[1-methyl-4-(2-thienyl)-3-pyrrolidinyl]methyl}thiourea

  • Molecular FormulaC14H23N3S2
  • Average mass297.483 Da
  • Monoisotopic mass297.133331 Da
  • ChemSpider ID64843998

More details:

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

1-Isopropyl-3-{[1-methyl-4-(2-thienyl)-3-pyrrolidinyl]methyl}thioharnstoff [German] [ACD/IUPAC Name]
1-Isopropyl-3-{[1-methyl-4-(2-thienyl)-3-pyrrolidinyl]methyl}thiourea [ACD/IUPAC Name]
1-Isopropyl-3-{[1-méthyl-4-(2-thiényl)-3-pyrrolidinyl]méthyl}thiourée [French] [ACD/IUPAC Name]
Thiourea, N-(1-methylethyl)-N'-[[1-methyl-4-(2-thienyl)-3-pyrrolidinyl]methyl]- [ACD/Index Name]
1-{[1-methyl-4-(thiophen-2-yl)pyrrolidin-3-yl]methyl}-3-(propan-2-yl)thiourea

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

Density: 1.1±0.1 g/cm3
Boiling Point: 401.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 196.7±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 87.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.72
Polar Surface Area: 88 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 263.5±3.0 cm3

Click to predict properties on the Chemicalize site


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