ChemSpider 2D Image | 4-Isothiocyanato-1,3-benzothiazole | C8H4N2S2

4-Isothiocyanato-1,3-benzothiazole

  • Molecular FormulaC8H4N2S2
  • Average mass192.261 Da
  • Monoisotopic mass191.981583 Da
  • ChemSpider ID24182515

More details:

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

4-Isothiocyanato-1,3-benzothiazol [German] [ACD/IUPAC Name]
4-Isothiocyanato-1,3-benzothiazole [ACD/IUPAC Name]
4-Isothiocyanato-1,3-benzothiazole [French] [ACD/IUPAC Name]
Benzothiazole, 4-isothiocyanato- [ACD/Index Name]
42517-29-3 [RN]
4-isothiocyanatobenzo[d]thiazole
BENZO[D]THIAZOLE,4-ISOTHIOCYANATO-
Benzothiazole, 4-isothiocyanato- (9CI)
benzothiazole,4-isothiocyanato-
MFCD18826568

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

Density: 1.4±0.1 g/cm3
Boiling Point: 350.8±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.2±3.0 kJ/mol
Flash Point: 166.0±20.4 °C
Index of Refraction: 1.746
Molar Refractivity: 55.6±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.06
ACD/KOC (pH 5.5): 1516.74
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 195.06
ACD/KOC (pH 7.4): 1516.74
Polar Surface Area: 86 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 136.9±7.0 cm3

Click to predict properties on the Chemicalize site


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