Found 14 results

Search term: MF = 'C_{12}H_{6}N_{2}S_{3}'
ChemSpider 2D Image | 5-Isothiocyanato-2-(2-thienyl)-1,3-benzothiazole | C12H6N2S3

5-Isothiocyanato-2-(2-thienyl)-1,3-benzothiazole

  • Molecular FormulaC12H6N2S3
  • Average mass274.384 Da
  • Monoisotopic mass273.969299 Da
  • ChemSpider ID15528095

More details:

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

5-Isothiocyanato-2-(2-thienyl)-1,3-benzothiazol [German] [ACD/IUPAC Name]
5-Isothiocyanato-2-(2-thienyl)-1,3-benzothiazole [ACD/IUPAC Name]
5-Isothiocyanato-2-(2-thiényl)-1,3-benzothiazole [French] [ACD/IUPAC Name]
5-isothiocyanato-2-(thiophen-2-yl)-1,3-benzothiazole
Benzothiazole, 5-isothiocyanato-2-(2-thienyl)- [ACD/Index Name]
5-Isothiocyanato-2-thiophen-2-yl-benzothiazole
61352-22-5 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL368388/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 468.8±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 237.3±28.2 °C
Index of Refraction: 1.788
Molar Refractivity: 79.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2847.10
ACD/KOC (pH 5.5): 10333.70
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2847.11
ACD/KOC (pH 7.4): 10333.75
Polar Surface Area: 114 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 187.4±7.0 cm3

Click to predict properties on the Chemicalize site


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