ChemSpider 2D Image | O-Methyl [(1,1-dioxidotetrahydro-3-thiophenyl)methyl]carbamothioate | C7H13NO3S2

O-Methyl [(1,1-dioxidotetrahydro-3-thiophenyl)methyl]carbamothioate

  • Molecular FormulaC7H13NO3S2
  • Average mass223.313 Da
  • Monoisotopic mass223.033676 Da
  • ChemSpider ID23363894

More details:

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

[(1,1-Dioxydotétrahydro-3-thiophényl)méthyl]carbamothioate de O-méthyle [French] [ACD/IUPAC Name]
Carbamothioic acid, N-[(tetrahydro-1,1-dioxido-3-thienyl)methyl]-, O-methyl ester [ACD/Index Name]
O-Methyl [(1,1-dioxidotetrahydro-3-thiophenyl)methyl]carbamothioate [ACD/IUPAC Name]
O-Methyl [(1,1-dioxidotetrahydrothiophen-3-yl)methyl]carbamothioate
O-Methyl-[(1,1-dioxidotetrahydro-3-thiophenyl)methyl]carbamothioat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 388.8±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 189.0±25.7 °C
Index of Refraction: 1.546
Molar Refractivity: 53.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.83
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.83
Polar Surface Area: 96 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 169.5±3.0 cm3

Click to predict properties on the Chemicalize site


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