ChemSpider 2D Image | 3-Chloro-5-(chloromethyl)-1,2-thiazole | C4H3Cl2NS

3-Chloro-5-(chloromethyl)-1,2-thiazole

  • Molecular FormulaC4H3Cl2NS
  • Average mass168.044 Da
  • Monoisotopic mass166.936325 Da
  • ChemSpider ID122343327

More details:

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

3-Chlor-5-(chlormethyl)-1,2-thiazol [German] [ACD/IUPAC Name]
3-Chloro-5-(chloromethyl)-1,2-thiazole [ACD/IUPAC Name]
3-Chloro-5-(chlorométhyl)-1,2-thiazole [French] [ACD/IUPAC Name]
Isothiazole, 3-chloro-5-(chloromethyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 144.5±22.0 °C at 760 mmHg
Vapour Pressure: 6.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 36.6±3.0 kJ/mol
Flash Point: 41.2±22.3 °C
Index of Refraction: 1.584
Molar Refractivity: 37.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.48
ACD/KOC (pH 5.5): 420.35
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.48
ACD/KOC (pH 7.4): 420.35
Polar Surface Area: 41 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 111.8±3.0 cm3

Click to predict properties on the Chemicalize site


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