ChemSpider 2D Image | 1,3-Benzothiazole-6-thiol | C7H5NS2

1,3-Benzothiazole-6-thiol

  • Molecular FormulaC7H5NS2
  • Average mass167.251 Da
  • Monoisotopic mass166.986343 Da
  • ChemSpider ID28578447

More details:

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

1,3-Benzothiazol-6-thiol [German] [ACD/IUPAC Name]
1,3-Benzothiazole-6-thiol [ACD/IUPAC Name]
1,3-Benzothiazole-6-thiol [French] [ACD/IUPAC Name]
6-Benzothiazolethiol [ACD/Index Name]
854085-71-5 [RN]
BENZO[D]THIAZOLE,6-MERCAPTO-
benzo[d]thiazole-6-thiol
MFCD16878000

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

Density: 1.4±0.1 g/cm3
Boiling Point: 300.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.9±3.0 kJ/mol
Flash Point: 135.3±20.4 °C
Index of Refraction: 1.757
Molar Refractivity: 48.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 25.81
ACD/KOC (pH 5.5): 329.21
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 16.83
Polar Surface Area: 80 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 118.9±3.0 cm3

Click to predict properties on the Chemicalize site


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