ChemSpider 2D Image | 5-(Chloromethyl)-1-(3-thietanylmethyl)tetrazolidine | C6H13ClN4S

5-(Chloromethyl)-1-(3-thietanylmethyl)tetrazolidine

  • Molecular FormulaC6H13ClN4S
  • Average mass208.712 Da
  • Monoisotopic mass208.054947 Da
  • ChemSpider ID109640095

More details:

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

5-(Chlormethyl)-1-(3-thietanylmethyl)tetrazolidin [German] [ACD/IUPAC Name]
5-(Chloromethyl)-1-(3-thietanylmethyl)tetrazolidine [ACD/IUPAC Name]
5-(Chlorométhyl)-1-(3-thiétanylméthyl)tétrazolidine [French] [ACD/IUPAC Name]
Tetrazolidine, 5-(chloromethyl)-1-(3-thietanylmethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 314.8±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.6±3.0 kJ/mol
Flash Point: 144.2±26.8 °C
Index of Refraction: 1.551
Molar Refractivity: 52.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.97
Polar Surface Area: 65 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 164.4±3.0 cm3

Click to predict properties on the Chemicalize site


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