ChemSpider 2D Image | 1-(4-Chloro-1,3-thiazol-2-yl)-1H-1,2,4-triazole-3-carboxylic acid | C6H3ClN4O2S

1-(4-Chloro-1,3-thiazol-2-yl)-1H-1,2,4-triazole-3-carboxylic acid

  • Molecular FormulaC6H3ClN4O2S
  • Average mass230.632 Da
  • Monoisotopic mass229.966522 Da
  • ChemSpider ID61555365

More details:

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

1-(4-Chlor-1,3-thiazol-2-yl)-1H-1,2,4-triazol-3-carbonsäure [German] [ACD/IUPAC Name]
1-(4-Chloro-1,3-thiazol-2-yl)-1H-1,2,4-triazole-3-carboxylic acid [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carboxylic acid, 1-(4-chloro-2-thiazolyl)- [ACD/Index Name]
Acide 1-(4-chloro-1,3-thiazol-2-yl)-1H-1,2,4-triazole-3-carboxylique [French] [ACD/IUPAC Name]
1881967-30-1 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 528.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.5±27.9 °C
Index of Refraction: 1.867
Molar Refractivity: 52.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 93.9±7.0 dyne/cm
Molar Volume: 115.5±7.0 cm3

Click to predict properties on the Chemicalize site


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