ChemSpider 2D Image | [1,2]Thiazolo[4,5-d]pyrimidine | C5H3N3S

[1,2]Thiazolo[4,5-d]pyrimidine

  • Molecular FormulaC5H3N3S
  • Average mass137.162 Da
  • Monoisotopic mass137.004761 Da
  • ChemSpider ID24185886

More details:

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

[1,2]Thiazolo[4,5-d]pyrimidin [German] [ACD/IUPAC Name]
[1,2]Thiazolo[4,5-d]pyrimidine [ACD/IUPAC Name]
[1,2]Thiazolo[4,5-d]pyrimidine [French] [ACD/IUPAC Name]
Isothiazolo[4,5-d]pyrimidine [ACD/Index Name]
7078-51-5 [RN]
Isothiazolo[4,5-d]pyrimidine (8CI,9CI)
MFCD28050493

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

Density: 1.5±0.1 g/cm3
Boiling Point: 161.4±22.0 °C at 760 mmHg
Vapour Pressure: 3.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.2±3.0 kJ/mol
Flash Point: 53.3±12.7 °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): 1.06
ACD/BCF (pH 5.5): 3.77
ACD/KOC (pH 5.5): 89.98
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.77
ACD/KOC (pH 7.4): 89.98
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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