ChemSpider 2D Image | 3-[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]butanenitrile | C7H9N3S2

3-[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]butanenitrile

  • Molecular FormulaC7H9N3S2
  • Average mass199.296 Da
  • Monoisotopic mass199.023788 Da
  • ChemSpider ID38431624

More details:

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

3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanenitrile [ACD/IUPAC Name]
3-[(5-Méthyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanenitrile [French] [ACD/IUPAC Name]
3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butannitril [German] [ACD/IUPAC Name]
3-[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]butanenitrile
87010-96-6 [RN]
Butanenitrile, 3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]- [ACD/Index Name]
3-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)butanenitrile
MFCD16043062

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

Density: 1.3±0.1 g/cm3
Boiling Point: 377.3±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 182.0±28.4 °C
Index of Refraction: 1.575
Molar Refractivity: 51.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.58
ACD/KOC (pH 5.5): 103.50
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.58
ACD/KOC (pH 7.4): 103.50
Polar Surface Area: 103 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 156.1±5.0 cm3

Click to predict properties on the Chemicalize site


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