ChemSpider 2D Image | 4-(2-Methyl-1,3-thiazol-4-yl)-1,2-benzenediamine | C10H11N3S

4-(2-Methyl-1,3-thiazol-4-yl)-1,2-benzenediamine

  • Molecular FormulaC10H11N3S
  • Average mass205.279 Da
  • Monoisotopic mass205.067368 Da
  • ChemSpider ID23343507

More details:

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

1,2-Benzenediamine, 4-(2-methyl-4-thiazolyl)- [ACD/Index Name]
4-(2-Methyl-1,3-thiazol-4-yl)-1,2-benzenediamine [ACD/IUPAC Name]
4-(2-Méthyl-1,3-thiazol-4-yl)-1,2-benzènediamine [French] [ACD/IUPAC Name]
4-(2-Methyl-1,3-thiazol-4-yl)-1,2-benzoldiamin [German] [ACD/IUPAC Name]
1067911-21-0 [RN]
4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine
4-(2-methylthiazol-4-yl)benzene-1,2-diamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL447349/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 409.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 201.4±25.9 °C
Index of Refraction: 1.692
Molar Refractivity: 60.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.47
ACD/KOC (pH 5.5): 84.60
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.50
ACD/KOC (pH 7.4): 85.35
Polar Surface Area: 93 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 158.3±3.0 cm3

Click to predict properties on the Chemicalize site


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