ChemSpider 2D Image | 1-[1-(3,4-Dichlorophenyl)propyl]-5-(methoxycarbonyl)-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid | C15H14Cl2N2O4S

1-[1-(3,4-Dichlorophenyl)propyl]-5-(methoxycarbonyl)-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid

  • Molecular FormulaC15H14Cl2N2O4S
  • Average mass389.254 Da
  • Monoisotopic mass388.005127 Da
  • ChemSpider ID23247268

More details:

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

1-[1-(3,4-Dichlorophenyl)propyl]-5-(methoxycarbonyl)-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid [ACD/IUPAC Name]
1-[1-(3,4-Dichlorphenyl)propyl]-5-(methoxycarbonyl)-2-thioxo-2,3-dihydro-1H-imidazol-4-carbonsäure [German] [ACD/IUPAC Name]
1H-Imidazole-4,5-dicarboxylic acid, 1-[1-(3,4-dichlorophenyl)propyl]-2,3-dihydro-2-thioxo-, 5-methyl ester [ACD/Index Name]
Acide 1-[1-(3,4-dichlorophényl)propyl]-5-(méthoxycarbonyl)-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylique [French] [ACD/IUPAC Name]
1-[1-(3,4-Dichloro-phenyl)-propyl]-2-mercapto-1H-imidazole-4,5-dicarboxylic acid 5-methyl ester

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

Density: 1.5±0.1 g/cm3
Boiling Point: 621.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 329.7±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 93.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.84
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 256.5±7.0 cm3

Click to predict properties on the Chemicalize site


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