Found 88 results

Search term: MF = 'C_{7}H_{6}N_{6}S'
ChemSpider 2D Image | 5-Amino-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carbonitrile | C7H6N6S

5-Amino-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC7H6N6S
  • Average mass206.228 Da
  • Monoisotopic mass206.037460 Da
  • ChemSpider ID28614761

More details:

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

1H-Pyrazole-4-carbonitrile, 5-amino-1-(5-methyl-1,3,4-thiadiazol-2-yl)- [ACD/Index Name]
5-Amino-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Amino-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Amino-1-(5-méthyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC 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: 504.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.7±32.9 °C
Index of Refraction: 1.861
Molar Refractivity: 54.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.93
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.93
Polar Surface Area: 122 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 84.3±7.0 dyne/cm
Molar Volume: 120.4±7.0 cm3

Click to predict properties on the Chemicalize site


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