ChemSpider 2D Image | [1,2]Thiazolo[3,4-d]pyrimidine | C5H3N3S

[1,2]Thiazolo[3,4-d]pyrimidine

  • Molecular FormulaC5H3N3S
  • Average mass137.162 Da
  • Monoisotopic mass137.004761 Da
  • ChemSpider ID24185865

More details:

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

[1,2]Thiazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
[1,2]Thiazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
[1,2]Thiazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
Isothiazolo[3,4-d]pyrimidine [ACD/Index Name]
14521-32-5 [RN]
Isothiazolo[3,4-d]pyrimidine (8CI,9CI)
MFCD28050491

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

Density: 1.5±0.1 g/cm3
Boiling Point: 247.4±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.5±3.0 kJ/mol
Flash Point: 109.3±10.2 °C
Index of Refraction: 1.724
Molar Refractivity: 36.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.04
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.80
ACD/KOC (pH 5.5): 72.71
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.80
ACD/KOC (pH 7.4): 72.71
Polar Surface Area: 67 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 79.4±3.0 dyne/cm
Molar Volume: 92.7±3.0 cm3

Click to predict properties on the Chemicalize site


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