Found 20 results

Search term: MF = 'C_{6}H_{4}O_{3}S'
ChemSpider 2D Image | 3,5-Dihydroxy-6-thioxo-2,4-cyclohexadien-1-one | C6H4O3S

3,5-Dihydroxy-6-thioxo-2,4-cyclohexadien-1-one

  • Molecular FormulaC6H4O3S
  • Average mass156.159 Da
  • Monoisotopic mass155.988113 Da
  • ChemSpider ID60827040

More details:

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

2,4-Cyclohexadien-1-one, 3,5-dihydroxy-6-thioxo- [ACD/Index Name]
3,5-Dihydroxy-6-thioxo-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
3,5-Dihydroxy-6-thioxo-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
3,5-Dihydroxy-6-thioxo-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
1824613-51-5 [RN]
MFCD24712102

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

Density: 1.7±0.1 g/cm3
Boiling Point: 237.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 55.1±6.0 kJ/mol
Flash Point: 97.5±30.1 °C
Index of Refraction: 1.735
Molar Refractivity: 37.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): -3.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 99.0±5.0 dyne/cm
Molar Volume: 93.3±5.0 cm3

Click to predict properties on the Chemicalize site


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