ChemSpider 2D Image | tropodithietic acid | C8H4O3S2

tropodithietic acid

  • Molecular FormulaC8H4O3S2
  • Average mass212.246 Da
  • Monoisotopic mass211.960190 Da
  • ChemSpider ID27025853

More details:

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

3-Oxo-8,9-dithiabicyclo[5.2.0]nona-1,4,6-trien-2-carbonsäure [German] [ACD/IUPAC Name]
3-Oxo-8,9-dithiabicyclo[5.2.0]nona-1,4,6-triene-2-carboxylic acid [ACD/IUPAC Name]
750590-18-2 [RN]
8,9-Dithiabicyclo[5.2.0]nona-1,4,6-triene-2-carboxylic acid, 3-oxo- [ACD/Index Name]
Acide 3-oxo-8,9-dithiabicyclo[5.2.0]nona-1,4,6-triène-2-carboxylique [French] [ACD/IUPAC Name]
tropodithietic acid
TDA, Tropodithietic acid From Roseobacter gallaeciensis
tropodithietic acid [tda]
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid that is 8,9-dithiabicyclo[5.2.0]nona-1,3,6-triene substituted by a carboxy group at position 2 and an oxo group at position 3. It is a broad spectrum antibiotic produced by the m arine bacterium Phaeobacter inhibens that also acts as a signalling molecule at lower concentrations. ChEBI CHEBI:156455

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

Density: 1.7±0.1 g/cm3
Boiling Point: 435.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±6.0 kJ/mol
Flash Point: 217.2±31.5 °C
Index of Refraction: 1.784
Molar Refractivity: 51.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 86.3±5.0 dyne/cm
Molar Volume: 123.1±5.0 cm3

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