ChemSpider 2D Image | 3-hydroxy-5-(propan-2-ylamino)-1,2-thiazole-4-carbonitrile | C7H9N3OS

3-hydroxy-5-(propan-2-ylamino)-1,2-thiazole-4-carbonitrile

  • Molecular FormulaC7H9N3OS
  • Average mass183.231 Da
  • Monoisotopic mass183.046631 Da
  • ChemSpider ID21120870

More details:

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

3-hydroxy-5-(propan-2-ylamino)-1,2-thiazole-4-carbonitrile
4-Isothiazolecarbonitrile, 2,3-dihydro-5-[(1-methylethyl)amino]-3-oxo- [ACD/Index Name]
5-(Isopropylamino)-3-oxo-2,3-dihydro-1,2-thiazol-4-carbonitril [German] [ACD/IUPAC Name]
5-(Isopropylamino)-3-oxo-2,3-dihydro-1,2-thiazole-4-carbonitrile [ACD/IUPAC Name]
5-(Isopropylamino)-3-oxo-2,3-dihydro-1,2-thiazole-4-carbonitrile [French] [ACD/IUPAC Name]
2,3-dihydro-5-(isopropylamino)-3-oxoisothiazole-4-carbonitrile
3-hydroxy-5-(isopropylamino)isothiazole-4-carbonitrile
663958-33-6 [RN]
CHEMBL211796

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

Density: 1.3±0.1 g/cm3
Boiling Point: 269.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.8±3.0 kJ/mol
Flash Point: 116.6±27.3 °C
Index of Refraction: 1.588
Molar Refractivity: 46.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.65
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.13
Polar Surface Area: 97 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 137.6±5.0 cm3

Click to predict properties on the Chemicalize site


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