ChemSpider 2D Image | 4-(Chloromethyl)-3,5-dimethylisothiazole | C6H8ClNS

4-(Chloromethyl)-3,5-dimethylisothiazole

  • Molecular FormulaC6H8ClNS
  • Average mass161.652 Da
  • Monoisotopic mass161.006592 Da
  • ChemSpider ID32995960

More details:

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

4-(Chlormethyl)-3,5-dimethyl-1,2-thiazol [German] [ACD/IUPAC Name]
4-(Chloromethyl)-3,5-dimethyl-1,2-thiazole [ACD/IUPAC Name]
4-(Chlorométhyl)-3,5-diméthyl-1,2-thiazole [French] [ACD/IUPAC Name]
4-(Chloromethyl)-3,5-dimethylisothiazole
53064-44-1 [RN]
Isothiazole, 4-(chloromethyl)-3,5-dimethyl- [ACD/Index Name]
MFCD19232798

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

Density: 1.2±0.1 g/cm3
Boiling Point: 157.2±22.0 °C at 760 mmHg
Vapour Pressure: 3.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.8±3.0 kJ/mol
Flash Point: 48.9±22.3 °C
Index of Refraction: 1.550
Molar Refractivity: 42.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.15
ACD/KOC (pH 5.5): 414.80
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.55
ACD/KOC (pH 7.4): 457.26
Polar Surface Area: 41 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 132.4±3.0 cm3

Click to predict properties on the Chemicalize site


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