Found 270 results

Search term: MF = 'C_{7}H_{5}N_{3}OS'
ChemSpider 2D Image | 2-Thienyl(4H-1,2,4-triazol-3-yl)methanone | C7H5N3OS

2-Thienyl(4H-1,2,4-triazol-3-yl)methanone

  • Molecular FormulaC7H5N3OS
  • Average mass179.199 Da
  • Monoisotopic mass179.015335 Da
  • ChemSpider ID34211762

More details:

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

1482169-30-1 [RN]
2-Thienyl(4H-1,2,4-triazol-3-yl)methanon [German] [ACD/IUPAC Name]
2-Thienyl(4H-1,2,4-triazol-3-yl)methanone [ACD/IUPAC Name]
2-Thiényl(4H-1,2,4-triazol-3-yl)méthanone [French] [ACD/IUPAC Name]
3-(thiophene-2-carbonyl)-4H-1,2,4-triazole
Methanone, 2-thienyl-4H-1,2,4-triazol-3-yl- [ACD/Index Name]
MFCD21194702

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

Density: 1.5±0.1 g/cm3
Boiling Point: 406.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 199.9±26.5 °C
Index of Refraction: 1.662
Molar Refractivity: 45.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.24
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 38.38
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.29
Polar Surface Area: 87 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 74.6±3.0 dyne/cm
Molar Volume: 121.8±3.0 cm3

Click to predict properties on the Chemicalize site


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