ChemSpider 2D Image | 2-(3-Thienylcarbonyl)benzenecarbothialdehyde | C12H8OS2

2-(3-Thienylcarbonyl)benzenecarbothialdehyde

  • Molecular FormulaC12H8OS2
  • Average mass232.321 Da
  • Monoisotopic mass232.001648 Da
  • ChemSpider ID30687927

More details:

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

2-(3-Thienylcarbonyl)benzenecarbothialdehyde [ACD/IUPAC Name]
2-(3-Thiénylcarbonyl)benzènecarbothialdéhyde [French] [ACD/IUPAC Name]
2-(3-Thienylcarbonyl)benzolcarbothialdehyd [German] [ACD/IUPAC Name]
Benzenecarbothioaldehyde, 2-(3-thienylcarbonyl)- [ACD/Index Name]
2-(THIOPHENE-3-CARBONYL)BENZENE-1-CARBOTHIALDEHYDE
2-(THIOPHENE-3-CARBONYL)BENZENECARBOTHIALDEHYDE
3-(2-thiomethylbenzoyl)thiophene
896618-53-4 [RN]
MFCD07699018 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 412.9±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 203.5±30.4 °C
Index of Refraction: 1.703
Molar Refractivity: 68.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.00
ACD/KOC (pH 5.5): 735.76
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.00
ACD/KOC (pH 7.4): 735.76
Polar Surface Area: 77 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 176.6±3.0 cm3

Click to predict properties on the Chemicalize site


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