ChemSpider 2D Image | N-[N-Cyano-N'-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)carbamimidoyl]-2-propyn-1-aminium | C12H17N6S

N-[N-Cyano-N'-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)carbamimidoyl]-2-propyn-1-aminium

  • Molecular FormulaC12H17N6S
  • Average mass277.368 Da
  • Monoisotopic mass277.122986 Da
  • ChemSpider ID21258635

  • Charge - Charge

More details:

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

Guanidine, N''-cyano-N-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-N'-2-propyn-1-yl-, conjugate monoacid [ACD/Index Name]
N-[N-Cyan-N'-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)carbamimidoyl]-2-propin-1-aminium [German] [ACD/IUPAC Name]
N-[N-Cyano-N'-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)carbamimidoyl]-2-propyn-1-aminium [ACD/IUPAC Name]
N-[N-Cyano-N'-(2-{[(4-méthyl-1H-imidazol-5-yl)méthyl]sulfanyl}éthyl)carbamimidoyl]-2-propyn-1-aminium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 513.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 264.6±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.34
ACD/KOC (pH 7.4): 35.07
Polar Surface Area: 119 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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