ChemSpider 2D Image | Carbamimidothioic acid, aminoiminomethyl ester | C2H6N4S

Carbamimidothioic acid, aminoiminomethyl ester

  • Molecular FormulaC2H6N4S
  • Average mass118.161 Da
  • Monoisotopic mass118.031319 Da
  • ChemSpider ID33285624

More details:

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

Carbamimidothioic acid, aminoiminomethyl ester [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 228.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.5±3.0 kJ/mol
Flash Point: 92.2±22.6 °C
Index of Refraction: 1.764
Molar Refractivity: 27.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -2.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.46
Polar Surface Area: 125 Å2
Polarizability: 10.8±0.5 10-24cm3
Surface Tension: 102.6±7.0 dyne/cm
Molar Volume: 65.9±7.0 cm3

Click to predict properties on the Chemicalize site


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