ChemSpider 2D Image | 4-Chloro-1,3-benzoxazole-2-thiol | C7H4ClNOS

4-Chloro-1,3-benzoxazole-2-thiol

  • Molecular FormulaC7H4ClNOS
  • Average mass185.631 Da
  • Monoisotopic mass184.970215 Da
  • ChemSpider ID57337500

More details:

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

1062320-24-4 [RN]
2-Benzoxazolethiol, 4-chloro- [ACD/Index Name]
4-Chlor-1,3-benzoxazol-2-thiol [German] [ACD/IUPAC Name]
4-Chloro-1,3-benzoxazole-2-thiol [ACD/IUPAC Name]
4-Chloro-1,3-benzoxazole-2-thiol [French] [ACD/IUPAC Name]
4-Chloro-2-mercaptobenzo[d]oxazole
4-Chlorobenzo[d]oxazole-2-thiol
MFCD12756055

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

Density: 1.5±0.1 g/cm3
Boiling Point: 290.3±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.8±3.0 kJ/mol
Flash Point: 129.4±25.1 °C
Index of Refraction: 1.692
Molar Refractivity: 47.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.41
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 65 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 124.1±3.0 cm3

Click to predict properties on the Chemicalize site


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