Found 504 results

Search term: MF = 'C_{12}H_{7}N_{3}OS'
ChemSpider 2D Image | 5-Amino-3-(1-benzothiophen-3-yl)-1,2-oxazole-4-carbonitrile | C12H7N3OS

5-Amino-3-(1-benzothiophen-3-yl)-1,2-oxazole-4-carbonitrile

  • Molecular FormulaC12H7N3OS
  • Average mass241.268 Da
  • Monoisotopic mass241.030975 Da
  • ChemSpider ID37783302

More details:

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

4-Isoxazolecarbonitrile, 5-amino-3-benzo[b]thien-3-yl- [ACD/Index Name]
5-Amino-3-(1-benzothiophen-3-yl)-1,2-oxazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Amino-3-(1-benzothiophen-3-yl)-1,2-oxazole-4-carbonitrile [ACD/IUPAC Name]
5-Amino-3-(1-benzothiophén-3-yl)-1,2-oxazole-4-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 577.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.2±30.1 °C
Index of Refraction: 1.741
Molar Refractivity: 65.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.96
ACD/KOC (pH 5.5): 469.97
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.96
ACD/KOC (pH 7.4): 469.97
Polar Surface Area: 104 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 85.1±5.0 dyne/cm
Molar Volume: 162.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement