ChemSpider 2D Image | 1-Methyl-2-sulfanyl-2,5-dihydro-1H-tetrazole | C2H6N4S

1-Methyl-2-sulfanyl-2,5-dihydro-1H-tetrazole

  • Molecular FormulaC2H6N4S
  • Average mass118.161 Da
  • Monoisotopic mass118.031319 Da
  • ChemSpider ID28675476

More details:

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

1H-Tetrazole, 2,5-dihydro-2-mercapto-1-methyl- [ACD/Index Name]
1-Methyl-2-sulfanyl-2,5-dihydro-1H-tetrazol [German] [ACD/IUPAC Name]
1-Methyl-2-sulfanyl-2,5-dihydro-1H-tetrazole [ACD/IUPAC Name]
1-Méthyl-2-sulfanyl-2,5-dihydro-1H-tétrazole [French] [ACD/IUPAC Name]
114232-53-0 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 110.0±23.0 °C at 760 mmHg
Vapour Pressure: 24.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.9±3.0 kJ/mol
Flash Point: 20.4±22.6 °C
Index of Refraction: 1.750
Molar Refractivity: 30.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.26
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.22
ACD/KOC (pH 5.5): 40.23
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 40.23
Polar Surface Area: 70 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 74.6±7.0 cm3

Click to predict properties on the Chemicalize site


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