ChemSpider 2D Image | 2-[2-(1,3,4-Thiadiazol-2-ylsulfanyl)propyl]-1,3-benzothiazole | C12H11N3S3

2-[2-(1,3,4-Thiadiazol-2-ylsulfanyl)propyl]-1,3-benzothiazole

  • Molecular FormulaC12H11N3S3
  • Average mass293.431 Da
  • Monoisotopic mass293.011505 Da
  • ChemSpider ID30447891

More details:

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

2-[2-(1,3,4-Thiadiazol-2-ylsulfanyl)propyl]-1,3-benzothiazol [German] [ACD/IUPAC Name]
2-[2-(1,3,4-Thiadiazol-2-ylsulfanyl)propyl]-1,3-benzothiazole [ACD/IUPAC Name]
2-[2-(1,3,4-Thiadiazol-2-ylsulfanyl)propyl]-1,3-benzothiazole [French] [ACD/IUPAC Name]
Benzothiazole, 2-[2-(1,3,4-thiadiazol-2-ylthio)propyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 458.7±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 231.2±29.3 °C
Index of Refraction: 1.707
Molar Refractivity: 80.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 241.64
ACD/KOC (pH 5.5): 1767.98
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 241.65
ACD/KOC (pH 7.4): 1768.06
Polar Surface Area: 120 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 75.4±5.0 dyne/cm
Molar Volume: 206.8±5.0 cm3

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