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Search term: KLPSQNZXKWHFER (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1,3-Benzothiazole-7-thiol | C7H5NS2

1,3-Benzothiazole-7-thiol

  • Molecular FormulaC7H5NS2
  • Average mass167.251 Da
  • Monoisotopic mass166.986343 Da
  • ChemSpider ID24182172

More details:






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

1,3-Benzothiazol-7-thiol [German] [ACD/IUPAC Name]
1,3-Benzothiazole-7-thiol [ACD/IUPAC Name]
1,3-Benzothiazole-7-thiol [French] [ACD/IUPAC Name]
7-Benzothiazolethiol [ACD/Index Name]
"1,3-BENZOTHIAZOLE-7-THIOL"|"1,3-BENZOTHIAZOLE-7-THIOL"
7-benzo[d]thiazolethiol
7-Benzothiazolethiol (9CI)
96426-78-7 [RN]
benzo[d]thiazole-7-thiol
MFCD18822757

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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): 2.06
ACD/BCF (pH 5.5): 18.73
ACD/KOC (pH 5.5): 238.99
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.95
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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