ChemSpider 2D Image | 3-(Methylsulfanyl)-1,2,5-thiadiazole | C3H4N2S2

3-(Methylsulfanyl)-1,2,5-thiadiazole

  • Molecular FormulaC3H4N2S2
  • Average mass132.207 Da
  • Monoisotopic mass131.981583 Da
  • ChemSpider ID28557767

More details:






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

1,2,5-Thiadiazole, 3-(methylthio)- [ACD/Index Name]
3-(Methylsulfanyl)-1,2,5-thiadiazol [German] [ACD/IUPAC Name]
3-(Methylsulfanyl)-1,2,5-thiadiazole [ACD/IUPAC Name]
3-(Méthylsulfanyl)-1,2,5-thiadiazole [French] [ACD/IUPAC Name]
183803-83-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 196.8±13.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.5±3.0 kJ/mol
Flash Point: 72.8±19.8 °C
Index of Refraction: 1.609
Molar Refractivity: 33.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.42
ACD/KOC (pH 5.5): 146.13
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.42
ACD/KOC (pH 7.4): 146.13
Polar Surface Area: 79 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 95.7±5.0 cm3

Click to predict properties on the Chemicalize site






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