ChemSpider 2D Image | 4-Iodo-3-methylbenzenethiol | C7H7IS

4-Iodo-3-methylbenzenethiol

  • Molecular FormulaC7H7IS
  • Average mass250.100 Da
  • Monoisotopic mass249.931305 Da
  • ChemSpider ID60833701

More details:

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

4-Iod-3-methylbenzolthiol [German] [ACD/IUPAC Name]
4-Iodo-3-methylbenzenethiol [ACD/IUPAC Name]
4-Iodo-3-méthylbenzènethiol [French] [ACD/IUPAC Name]
Benzenethiol, 4-iodo-3-methyl- [ACD/Index Name]
1822632-08-5 [RN]
MFCD22481050

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

Density: 1.8±0.1 g/cm3
Boiling Point: 270.6±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.8±3.0 kJ/mol
Flash Point: 117.5±24.0 °C
Index of Refraction: 1.665
Molar Refractivity: 52.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 230.77
ACD/KOC (pH 5.5): 1620.12
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 15.91
ACD/KOC (pH 7.4): 111.72
Polar Surface Area: 39 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 140.4±3.0 cm3

Click to predict properties on the Chemicalize site


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