Found 214 results

Search term: MF = 'C_{16}H_{10}O_{3}S'
ChemSpider 2D Image | 4-(4-Thioxo-4H-chromen-2-yl)benzoic acid | C16H10O3S

4-(4-Thioxo-4H-chromen-2-yl)benzoic acid

  • Molecular FormulaC16H10O3S
  • Average mass282.314 Da
  • Monoisotopic mass282.035065 Da
  • ChemSpider ID21672860

More details:

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

4-(4-Thioxo-4H-chromen-2-yl)benzoesäure [German] [ACD/IUPAC Name]
4-(4-Thioxo-4H-chromen-2-yl)benzoic acid [ACD/IUPAC Name]
Acide 4-(4-thioxo-4H-chromén-2-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(4-thioxo-4H-1-benzopyran-2-yl)- [ACD/Index Name]
4-(4-sulfanylidene-4H-chromen-2-yl)benzoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 469.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 237.4±31.5 °C
Index of Refraction: 1.732
Molar Refractivity: 78.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 17.19
ACD/KOC (pH 5.5): 90.89
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.97
Polar Surface Area: 79 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 195.3±5.0 cm3

Click to predict properties on the Chemicalize site


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