Found 14 results

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

6-(1,3-Thiazol-2-ylethynyl)-1,3-benzothiazole-2-thiol

  • Molecular FormulaC12H6N2S3
  • Average mass274.384 Da
  • Monoisotopic mass273.969299 Da
  • ChemSpider ID114477090

More details:

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

2-Benzothiazolethiol, 6-[2-(2-thiazolyl)ethynyl]- [ACD/Index Name]
6-(1,3-Thiazol-2-ylethinyl)-1,3-benzothiazol-2-thiol [German] [ACD/IUPAC Name]
6-(1,3-Thiazol-2-ylethynyl)-1,3-benzothiazole-2-thiol [ACD/IUPAC Name]
6-(1,3-Thiazol-2-yléthynyl)-1,3-benzothiazole-2-thiol [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 470.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 238.4±31.5 °C
Index of Refraction: 1.786
Molar Refractivity: 76.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 16.90
ACD/KOC (pH 5.5): 126.41
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.99
Polar Surface Area: 121 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 88.1±5.0 dyne/cm
Molar Volume: 180.1±5.0 cm3

Click to predict properties on the Chemicalize site


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