ChemSpider 2D Image | 4-(Bromomethyl)-1,2,3-thiadiazole | C3H3BrN2S

4-(Bromomethyl)-1,2,3-thiadiazole

  • Molecular FormulaC3H3BrN2S
  • Average mass179.038 Da
  • Monoisotopic mass177.920029 Da
  • ChemSpider ID58180077

More details:

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

1,2,3-Thiadiazole, 4-(bromomethyl)- [ACD/Index Name]
4-(Brommethyl)-1,2,3-thiadiazol [German] [ACD/IUPAC Name]
4-(Bromomethyl)-1,2,3-thiadiazole [ACD/IUPAC Name]
4-(Bromométhyl)-1,2,3-thiadiazole [French] [ACD/IUPAC Name]
136918-76-8 [RN]
4-(Bromomethyl)thiadiazole
MFCD12405627

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

Density: 1.9±0.1 g/cm3
Boiling Point: 225.0±32.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.3±3.0 kJ/mol
Flash Point: 89.9±25.1 °C
Index of Refraction: 1.623
Molar Refractivity: 33.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.57
ACD/KOC (pH 5.5): 162.05
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.57
ACD/KOC (pH 7.4): 162.05
Polar Surface Area: 54 Å2
Polarizability: 13.3±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 94.9±3.0 cm3

Click to predict properties on the Chemicalize site


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