ChemSpider 2D Image | 2-{[4-Chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl}-4-pyrimidinol | C8H6ClN3O2S2

2-{[4-Chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl}-4-pyrimidinol

  • Molecular FormulaC8H6ClN3O2S2
  • Average mass275.735 Da
  • Monoisotopic mass274.958984 Da
  • ChemSpider ID36326170

More details:

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

2-{[4-Chlor-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl}-4-pyrimidinol [German] [ACD/IUPAC Name]
2-{[4-Chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl}-4-pyrimidinol [ACD/IUPAC Name]
2-{[4-Chloro-5-(hydroxyméthyl)-1,3-thiazol-2-yl]sulfanyl}-4-pyrimidinol [French] [ACD/IUPAC Name]
4-Pyrimidinol, 2-[[4-chloro-5-(hydroxymethyl)-2-thiazolyl]thio]- [ACD/Index 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: 594.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.4±32.9 °C
Index of Refraction: 1.757
Molar Refractivity: 63.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.33
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.57
ACD/KOC (pH 5.5): 67.00
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.64
Polar Surface Area: 133 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 116.7±5.0 dyne/cm
Molar Volume: 154.9±5.0 cm3

Click to predict properties on the Chemicalize site


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