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Search term: IJDIXTXMNRPJCD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(3-Chlorophenyl)-3-(4-isopropylphenyl)-1-methylthiourea | C17H19ClN2S

1-(3-Chlorophenyl)-3-(4-isopropylphenyl)-1-methylthiourea

  • Molecular FormulaC17H19ClN2S
  • Average mass318.864 Da
  • Monoisotopic mass318.095734 Da
  • ChemSpider ID31096887

More details:

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

1-(3-Chlorophenyl)-3-(4-isopropylphenyl)-1-methylthiourea [ACD/IUPAC Name]
1-(3-Chlorophényl)-3-(4-isopropylphényl)-1-méthylthiourée [French] [ACD/IUPAC Name]
1-(3-Chlorphenyl)-3-(4-isopropylphenyl)-1-methylthioharnstoff [German] [ACD/IUPAC Name]
Thiourea, N-(3-chlorophenyl)-N-methyl-N'-[4-(1-methylethyl)phenyl]- [ACD/Index Name]
1-(3-chlorophenyl)-1-methyl-3-[4-(propan-2-yl)phenyl]thiourea
1-(3-Chloro-phenyl)-3-(4-isopropyl-phenyl)-1-methyl-thiourea

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

Density: 1.2±0.1 g/cm3
Boiling Point: 420.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 208.1±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3676.81
ACD/KOC (pH 5.5): 12409.60
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3676.75
ACD/KOC (pH 7.4): 12409.42
Polar Surface Area: 47 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 258.3±3.0 cm3

Click to predict properties on the Chemicalize site


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