ChemSpider 2D Image | 1-(3-Methylbutyl)-3-(3-methylphenyl)-1-[(1S)-1-(2-thienyl)ethyl]thiourea | C19H26N2S2

1-(3-Methylbutyl)-3-(3-methylphenyl)-1-[(1S)-1-(2-thienyl)ethyl]thiourea

  • Molecular FormulaC19H26N2S2
  • Average mass346.553 Da
  • Monoisotopic mass346.153748 Da
  • ChemSpider ID62484232

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(3-Methylbutyl)-3-(3-methylphenyl)-1-[(1S)-1-(2-thienyl)ethyl]thioharnstoff [German] [ACD/IUPAC Name]
1-(3-Methylbutyl)-3-(3-methylphenyl)-1-[(1S)-1-(2-thienyl)ethyl]thiourea [ACD/IUPAC Name]
1-(3-Méthylbutyl)-3-(3-méthylphényl)-1-[(1S)-1-(2-thiényl)éthyl]thiourée [French] [ACD/IUPAC Name]
Acide N-(3-méthylbutyl)-N'-(3-méthylphényl)-N-[(1S)-1-(2-thiényl)éthyl]carbamimidothioïque [French] [ACD/IUPAC Name]
Methanethiol, 1-[(3-methylbutyl)[(1S)-1-(2-thienyl)ethyl]amino]-1-[(3-methylphenyl)imino]-, (Z)- [ACD/Index Name]
N-(3-Methylbutyl)-N'-(3-methylphenyl)-N-[(1S)-1-(2-thienyl)ethyl]carbamimidothioic acid [ACD/IUPAC Name]
N-(3-Methylbutyl)-N'-(3-methylphenyl)-N-[(1S)-1-(2-thienyl)ethyl]carbamimidothiosäure [German] [ACD/IUPAC Name]
Thiourea, N-(3-methylbutyl)-N'-(3-methylphenyl)-N-[(1S)-1-(2-thienyl)ethyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 462.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.3±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 106.4±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 35.79
ACD/KOC (pH 5.5): 87.87
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 35.78
ACD/KOC (pH 7.4): 87.87
Polar Surface Area: 83 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 36.9±7.0 dyne/cm
Molar Volume: 316.6±7.0 cm3

Click to predict properties on the Chemicalize site


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