ChemSpider 2D Image | 2-Chloro-5-methylbenzenethiol | C7H7ClS

2-Chloro-5-methylbenzenethiol

  • Molecular FormulaC7H7ClS
  • Average mass158.648 Da
  • Monoisotopic mass157.995697 Da
  • ChemSpider ID14337830

More details:

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

2-Chlor-5-methylbenzolthiol [German] [ACD/IUPAC Name]
2-Chloro-5-methylbenzenethiol [ACD/IUPAC Name]
2-Chloro-5-méthylbenzènethiol [French] [ACD/IUPAC Name]
Benzenethiol, 2-chloro-5-methyl- [ACD/Index Name]
2-chloro-5-methylbenzene-1-thiol
856352-61-9 [RN]
MFCD20233418

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

Density: 1.2±0.1 g/cm3
Boiling Point: 233.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.1±3.0 kJ/mol
Flash Point: 91.5±21.2 °C
Index of Refraction: 1.593
Molar Refractivity: 44.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 164.98
ACD/KOC (pH 5.5): 1242.89
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 8.36
ACD/KOC (pH 7.4): 62.95
Polar Surface Area: 39 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 130.3±3.0 cm3

Click to predict properties on the Chemicalize site


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