ChemSpider 2D Image | 5-(5-Chloro-1,2,4-thiadiazol-3-yl)-2,4-pyrimidinediol | C6H3ClN4O2S

5-(5-Chloro-1,2,4-thiadiazol-3-yl)-2,4-pyrimidinediol

  • Molecular FormulaC6H3ClN4O2S
  • Average mass230.632 Da
  • Monoisotopic mass229.966522 Da
  • ChemSpider ID110733548

More details:

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

2,4-Pyrimidinediol, 5-(5-chloro-1,2,4-thiadiazol-3-yl)- [ACD/Index Name]
5-(5-Chlor-1,2,4-thiadiazol-3-yl)-2,4-pyrimidindiol [German] [ACD/IUPAC Name]
5-(5-Chloro-1,2,4-thiadiazol-3-yl)-2,4-pyrimidinediol [ACD/IUPAC Name]
5-(5-Chloro-1,2,4-thiadiazol-3-yl)-2,4-pyrimidinediol [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 598.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 316.0±32.9 °C
Index of Refraction: 1.730
Molar Refractivity: 50.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.33
ACD/LogD (pH 5.5): -3.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 108.4±3.0 dyne/cm
Molar Volume: 125.9±3.0 cm3

Click to predict properties on the Chemicalize site


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