Found 871 results

Search term: MF = 'C_{10}H_{7}N_{3}O_{2}S'
ChemSpider 2D Image | 5-(2H-1,3-benzodioxol-5-yl)-1,2,4-triazine-3-thiol | C10H7N3O2S

5-(2H-1,3-benzodioxol-5-yl)-1,2,4-triazine-3-thiol

  • Molecular FormulaC10H7N3O2S
  • Average mass233.247 Da
  • Monoisotopic mass233.025894 Da
  • ChemSpider ID21801348

More details:

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

1,2,4-Triazine-3(2H)-thione, 5-(1,3-benzodioxol-5-yl)-
1,2,4-Triazine-3-thiol, 5-(1,3-benzodioxol-5-yl)- [ACD/Index Name]
1142201-22-6 [RN]
5-(1,3-Benzodioxol-5-yl)-1,2,4-triazin-3(2H)-thion [German] [ACD/IUPAC Name]
5-(1,3-Benzodioxol-5-yl)-1,2,4-triazine-3(2H)-thione [ACD/IUPAC Name]
5-(1,3-Benzodioxol-5-yl)-1,2,4-triazine-3(2H)-thione [French] [ACD/IUPAC Name]
5-(2H-1,3-benzodioxol-5-yl)-1,2,4-triazine-3-thiol
5-(2H-1,3-benzodioxol-5-yl)-3,4-dihydro-1,2,4-triazine-3-thione
5-(2H-1,3-benzodioxol-5-yl)-4H-1,2,4-triazine-3-thione
5-(1,3-benzodioxol-5-yl)-2H-1,2,4-triazine-3-thione
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: 463.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 234.2±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 59.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 75.9±3.0 dyne/cm
Molar Volume: 158.2±3.0 cm3

Click to predict properties on the Chemicalize site


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