ChemSpider 2D Image | 3-(1,2,3-Thiadiazol-4-ylmethyl)-1,3,4-thiadiazol-2(3H)-one | C5H4N4OS2

3-(1,2,3-Thiadiazol-4-ylmethyl)-1,3,4-thiadiazol-2(3H)-one

  • Molecular FormulaC5H4N4OS2
  • Average mass200.242 Da
  • Monoisotopic mass199.982651 Da
  • ChemSpider ID61230201

More details:

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

1,3,4-Thiadiazol-2(3H)-one, 3-(1,2,3-thiadiazol-4-ylmethyl)- [ACD/Index Name]
3-(1,2,3-Thiadiazol-4-ylmethyl)-1,3,4-thiadiazol-2(3H)-on [German] [ACD/IUPAC Name]
3-(1,2,3-Thiadiazol-4-ylmethyl)-1,3,4-thiadiazol-2(3H)-one [ACD/IUPAC Name]
3-(1,2,3-Thiadiazol-4-ylméthyl)-1,3,4-thiadiazol-2(3H)-one [French] [ACD/IUPAC Name]
1864384-79-1 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 359.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 171.2±30.7 °C
Index of Refraction: 1.905
Molar Refractivity: 50.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.05
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.05
Polar Surface Area: 112 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 96.3±7.0 dyne/cm
Molar Volume: 107.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement