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Search term: MF = 'C_{12}H_{12}ClN_{5}S'
ChemSpider 2D Image | 3-{[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl](2-pyridinylmethyl)amino}propanenitrile | C12H12ClN5S

3-{[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl](2-pyridinylmethyl)amino}propanenitrile

  • Molecular FormulaC12H12ClN5S
  • Average mass293.775 Da
  • Monoisotopic mass293.050201 Da
  • ChemSpider ID30453699

More details:

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

3-{[(5-Chlor-1,2,3-thiadiazol-4-yl)methyl](2-pyridinylmethyl)amino}propannitril [German] [ACD/IUPAC Name]
3-{[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl](2-pyridinylmethyl)amino}propanenitrile [ACD/IUPAC Name]
3-{[(5-Chloro-1,2,3-thiadiazol-4-yl)méthyl](2-pyridinylméthyl)amino}propanenitrile [French] [ACD/IUPAC Name]
Propanenitrile, 3-[[(5-chloro-1,2,3-thiadiazol-4-yl)methyl](2-pyridinylmethyl)amino]- [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: 461.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 232.9±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 75.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.11
ACD/KOC (pH 5.5): 164.86
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 9.96
ACD/KOC (pH 7.4): 180.28
Polar Surface Area: 94 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 214.2±3.0 cm3

Click to predict properties on the Chemicalize site


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