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Search term: WSYNABBKDRQAGX-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Cyano-2-methyl-3-(2-{[(3-methyl-6-oxo-1(6H)-pyridazinyl)methyl]sulfanyl}ethyl)guanidine | C11H16N6OS

1-Cyano-2-methyl-3-(2-{[(3-methyl-6-oxo-1(6H)-pyridazinyl)methyl]sulfanyl}ethyl)guanidine

  • Molecular FormulaC11H16N6OS
  • Average mass280.349 Da
  • Monoisotopic mass280.110626 Da
  • ChemSpider ID23114249

More details:

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

1-Cyan-2-methyl-3-(2-{[(3-methyl-6-oxo-1(6H)-pyridazinyl)methyl]sulfanyl}ethyl)guanidin [German] [ACD/IUPAC Name]
1-Cyano-2-methyl-3-(2-{[(3-methyl-6-oxo-1(6H)-pyridazinyl)methyl]sulfanyl}ethyl)guanidine [ACD/IUPAC Name]
1-Cyano-2-méthyl-3-(2-{[(3-méthyl-6-oxo-1(6H)-pyridazinyl)méthyl]sulfanyl}éthyl)guanidine [French] [ACD/IUPAC Name]
1-cyano-2-methyl-3-(2-{[(3-methyl-6-oxopyridazin-1(6H)-yl)methyl]sulfanyl}ethyl)guanidine
guanidine, N-cyano-N''-methyl-N'-[2-[[(3-methyl-6-oxo-1(6H)-pyridazinyl)methyl]thio]ethyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL442330/
N''-cyano-N-methyl-N'-(2-{[(3-methyl-6-oxopyridazin-1(6H)-yl)methyl]thio}ethyl)guanidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 434.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 216.7±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 77.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.88
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.89
Polar Surface Area: 118 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 217.7±7.0 cm3

Click to predict properties on the Chemicalize site


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