ChemSpider 2D Image | Benzodithioate RAFT | C10H10O2S2

Benzodithioate RAFT

  • Molecular FormulaC10H10O2S2
  • Average mass226.315 Da
  • Monoisotopic mass226.012222 Da
  • ChemSpider ID24689068

More details:

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

2-(Phenylcarbonothioylthio)propanoic acid
2-[(Phenylcarbonothioyl)sulfanyl]propanoic acid [ACD/IUPAC Name]
2-[(Phenylcarbonothioyl)sulfanyl]propansäure [German] [ACD/IUPAC Name]
2-[(Phenylthioxomethyl)thio]propanoic acid
78751-36-7 [RN]
Acide 2-[(phénylcarbonothioyl)sulfanyl]propanoïque [French] [ACD/IUPAC Name]
Benzodithioate RAFT
Dithiobenzoate 2-propanoic acid
MFCD23143976 [MDL number]
Propanoic acid, 2-[(phenylthioxomethyl)thio]- [ACD/Index Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 377.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 182.2±28.4 °C
Index of Refraction: 1.650
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.61
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 170.8±3.0 cm3

Click to predict properties on the Chemicalize site


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