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Search term: KCVACUMTAXEALK-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[4-(3-Methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-1,3-thiazol-2-yl]guanidine | C13H15N5OS

1-[4-(3-Methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-1,3-thiazol-2-yl]guanidine

  • Molecular FormulaC13H15N5OS
  • Average mass289.356 Da
  • Monoisotopic mass289.099731 Da
  • ChemSpider ID129210952

More details:

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

1-[4-(3-Methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-1,3-thiazol-2-yl]guanidin [German] [ACD/IUPAC Name]
1-[4-(3-Methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-1,3-thiazol-2-yl]guanidine [ACD/IUPAC Name]
1-[4-(3-Méthyl-4-oxo-4,5,6,7-tétrahydro-2H-isoindol-1-yl)-1,3-thiazol-2-yl]guanidine [French] [ACD/IUPAC Name]
Guanidine, N-[4-(4,5,6,7-tetrahydro-3-methyl-4-oxo-2H-isoindol-1-yl)-2-thiazolyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 583.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.4±32.9 °C
Index of Refraction: 1.822
Molar Refractivity: 76.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.61
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 2.22
ACD/KOC (pH 7.4): 38.11
Polar Surface Area: 136 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 73.9±7.0 dyne/cm
Molar Volume: 175.0±7.0 cm3

Click to predict properties on the Chemicalize site


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