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Search term: BOBMITPKWBEJRW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2,1-Benzothiazole-3-thiol | C7H5NS2

2,1-Benzothiazole-3-thiol

  • Molecular FormulaC7H5NS2
  • Average mass167.251 Da
  • Monoisotopic mass166.986343 Da
  • ChemSpider ID49416084

More details:

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

2,1-Benzisothiazole-3-thiol [ACD/Index Name]
2,1-Benzothiazol-3-thiol [German] [ACD/IUPAC Name]
2,1-Benzothiazole-3-thiol [ACD/IUPAC Name]
2,1-Benzothiazole-3-thiol [French] [ACD/IUPAC Name]
173053-58-2 [RN]
MFCD21760162

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

Density: 1.4±0.1 g/cm3
Boiling Point: 293.1±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 131.1±19.8 °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: 2.82
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.94
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.93
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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