ChemSpider 2D Image | 4-Amino-4-oxo-3-thioxobutanethioic O-acid | C4H5NO2S2

4-Amino-4-oxo-3-thioxobutanethioic O-acid

  • Molecular FormulaC4H5NO2S2
  • Average mass163.218 Da
  • Monoisotopic mass162.976166 Da
  • ChemSpider ID60764023

More details:

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

4-Amino-4-oxo-3-thioxobutanethioic O-acid [ACD/IUPAC Name]
4-Amino-4-oxo-3-thioxobutanthio-O-säure [German] [ACD/IUPAC Name]
Butanethioic acid, 4-amino-4-oxo-3-thioxo- [ACD/Index Name]
O-Acide de 4-amino-4-oxo-3-thioxobutanethioïque [French] [ACD/IUPAC Name]
1379327-63-5 [RN]
carbamoyl thiocarbonyl thioacetic acid
MFCD20725077

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

Density: 1.6±0.1 g/cm3
Boiling Point: 357.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.8±6.0 kJ/mol
Flash Point: 169.8±30.7 °C
Index of Refraction: 1.712
Molar Refractivity: 40.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 112.9±3.0 dyne/cm
Molar Volume: 102.8±3.0 cm3

Click to predict properties on the Chemicalize site


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