ChemSpider 2D Image | 3-{[(E)-Cyano(phenylhydrazono)methyl]sulfonyl}-5-methyl-1,2-thiazole-4-carbonitrile | C13H9N5O2S2

3-{[(E)-Cyano(phenylhydrazono)methyl]sulfonyl}-5-methyl-1,2-thiazole-4-carbonitrile

  • Molecular FormulaC13H9N5O2S2
  • Average mass331.373 Da
  • Monoisotopic mass331.019775 Da
  • ChemSpider ID24818892

  • Double-bond stereo - Double-bond stereo

More details:

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

3-{[(E)-Cyan(phenylhydrazono)methyl]sulfonyl}-5-methyl-1,2-thiazol-4-carbonitril [German] [ACD/IUPAC Name]
3-{[(E)-Cyano(phenylhydrazono)methyl]sulfonyl}-5-methyl-1,2-thiazole-4-carbonitrile [ACD/IUPAC Name]
3-{[(E)-Cyano(phénylhydrazono)méthyl]sulfonyl}-5-méthyl-1,2-thiazole-4-carbonitrile [French] [ACD/IUPAC Name]
4-Isothiazolecarbonitrile, 3-[[(E)-cyano(2-phenylhydrazinylidene)methyl]sulfonyl]-5-methyl- [ACD/Index Name]
3-((CYANO-2-PHENYLCARBOHYDRAZONOYL)SULFONYL)-5-METHYL-4-ISOTHIAZOLECARBONITRILE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 478.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 243.1±31.5 °C
Index of Refraction: 1.702
Molar Refractivity: 87.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.53
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.03
Polar Surface Area: 156 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 65.1±7.0 dyne/cm
Molar Volume: 226.5±7.0 cm3

Click to predict properties on the Chemicalize site


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