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Search term: MF = 'C_{12}H_{12}ClN_{5}S'
ChemSpider 2D Image | 3-Chloro-4-{[(1-isopropyl-1H-tetrazol-5-yl)methyl]sulfanyl}benzonitrile | C12H12ClN5S

3-Chloro-4-{[(1-isopropyl-1H-tetrazol-5-yl)methyl]sulfanyl}benzonitrile

  • Molecular FormulaC12H12ClN5S
  • Average mass293.775 Da
  • Monoisotopic mass293.050201 Da
  • ChemSpider ID30128469

More details:

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

3-Chlor-4-{[(1-isopropyl-1H-tetrazol-5-yl)methyl]sulfanyl}benzonitril [German] [ACD/IUPAC Name]
3-Chloro-4-{[(1-isopropyl-1H-tetrazol-5-yl)methyl]sulfanyl}benzonitrile [ACD/IUPAC Name]
3-Chloro-4-{[(1-isopropyl-1H-tétrazol-5-yl)méthyl]sulfanyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-chloro-4-[[[1-(1-methylethyl)-1H-tetrazol-5-yl]methyl]thio]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 484.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 246.6±28.7 °C
Index of Refraction: 1.674
Molar Refractivity: 79.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.81
ACD/KOC (pH 5.5): 587.18
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.81
ACD/KOC (pH 7.4): 587.20
Polar Surface Area: 93 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 212.6±7.0 cm3

Click to predict properties on the Chemicalize site


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