ChemSpider 2D Image | 3,3-Dichloro-2-propen-1-yl N'-carbamimidoylcarbamimidothioate | C5H8Cl2N4S

3,3-Dichloro-2-propen-1-yl N'-carbamimidoylcarbamimidothioate

  • Molecular FormulaC5H8Cl2N4S
  • Average mass227.115 Da
  • Monoisotopic mass225.984665 Da
  • ChemSpider ID75664516

More details:

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

3,3-Dichlor-2-propen-1-yl-N'-carbamimidoylcarbamimidothioat [German] [ACD/IUPAC Name]
3,3-Dichloro-2-propen-1-yl N'-carbamimidoylcarbamimidothioate [ACD/IUPAC Name]
Carbamimidothioic acid, N'-(aminoiminomethyl)-, 3,3-dichloro-2-propen-1-yl ester [ACD/Index Name]
N'-Carbamimidoylcarbamimidothioate de 3,3-dichloro-2-propén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 335.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 156.5±30.7 °C
Index of Refraction: 1.648
Molar Refractivity: 51.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.77
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.20
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.05
ACD/KOC (pH 7.4): 39.17
Polar Surface Area: 114 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 141.2±7.0 cm3

Click to predict properties on the Chemicalize site


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