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

3-Iodo-4-methylbenzenethiol

  • Molecular FormulaC7H7IS
  • Average mass250.100 Da
  • Monoisotopic mass249.931305 Da
  • ChemSpider ID60833839

More details:

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

3-Iod-4-methylbenzolthiol [German] [ACD/IUPAC Name]
3-Iodo-4-methylbenzenethiol [ACD/IUPAC Name]
3-Iodo-4-méthylbenzènethiol [French] [ACD/IUPAC Name]
Benzenethiol, 3-iodo-4-methyl- [ACD/Index Name]
1824137-79-2 [RN]
MFCD22481236

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

Density: 1.8±0.1 g/cm3
Boiling Point: 279.3±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.7±3.0 kJ/mol
Flash Point: 122.7±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: 4.00
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 215.34
ACD/KOC (pH 5.5): 1532.04
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 13.55
ACD/KOC (pH 7.4): 96.38
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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