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Search term: SHWNBXQGNQWYAJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 7-sec-Butyl-5-oxo-5H-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid | C15H14N2O3S

7-sec-Butyl-5-oxo-5H-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid

  • Molecular FormulaC15H14N2O3S
  • Average mass302.348 Da
  • Monoisotopic mass302.072510 Da
  • ChemSpider ID23111988

More details:

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

5H-Thiazolo[2,3-b]quinazoline-2-carboxylic acid, 7-(1-methylpropyl)-5-oxo- [ACD/Index Name]
7-sec-Butyl-5-oxo-5H-[1,3]thiazolo[2,3-b]chinazolin-2-carbonsäure [German] [ACD/IUPAC Name]
7-sec-Butyl-5-oxo-5H-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid [ACD/IUPAC Name]
Acide 7-sec-butyl-5-oxo-5H-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylique [French] [ACD/IUPAC Name]
7-(butan-2-yl)-5-oxo-5H-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid
7-sec-Butyl-5-oxo-5H-thiazolo[2,3-b]quinazoline-2-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 494.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 252.8±31.5 °C
Index of Refraction: 1.704
Molar Refractivity: 81.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 9.89
ACD/KOC (pH 5.5): 103.57
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
Polar Surface Area: 95 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 208.7±7.0 cm3

Click to predict properties on the Chemicalize site


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