ChemSpider 2D Image | 4-Hydroxy-5-sulfanyl-1,3-benzothiazol-2(3H)-one | C7H5NO2S2

4-Hydroxy-5-sulfanyl-1,3-benzothiazol-2(3H)-one

  • Molecular FormulaC7H5NO2S2
  • Average mass199.250 Da
  • Monoisotopic mass198.976166 Da
  • ChemSpider ID30915921

More details:

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

2(3H)-Benzothiazolone, 4-hydroxy-5-mercapto- [ACD/Index Name]
4-Hydroxy-5-sulfanyl-1,3-benzothiazol-2(3H)-on [German] [ACD/IUPAC Name]
4-Hydroxy-5-sulfanyl-1,3-benzothiazol-2(3H)-one [ACD/IUPAC Name]
4-Hydroxy-5-sulfanyl-1,3-benzothiazol-2(3H)-one [French] [ACD/IUPAC Name]
170810-04-5 [RN]
1823935-04-1 [RN]
benzothiazolediol,mercapto-
MFCD27992732

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

Density: 1.7±0.1 g/cm3
Boiling Point: 478.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 243.2±24.6 °C
Index of Refraction: 1.869
Molar Refractivity: 52.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 20.90
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 101.1±3.0 dyne/cm
Molar Volume: 115.7±3.0 cm3

Click to predict properties on the Chemicalize site


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