ChemSpider 2D Image | S-{4-[(2-Thienylsulfonyl)amino]phenyl} dimethylcarbamothioate | C13H14N2O3S3

S-{4-[(2-Thienylsulfonyl)amino]phenyl} dimethylcarbamothioate

  • Molecular FormulaC13H14N2O3S3
  • Average mass342.457 Da
  • Monoisotopic mass342.016663 Da
  • ChemSpider ID30316970

More details:

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

Carbamothioic acid, N,N-dimethyl-, S-[4-[(2-thienylsulfonyl)amino]phenyl] ester [ACD/Index Name]
Diméthylcarbamothioate de S-{4-[(2-thiénylsulfonyl)amino]phényle} [French] [ACD/IUPAC Name]
S-{4-[(2-Thienylsulfonyl)amino]phenyl} dimethylcarbamothioate [ACD/IUPAC Name]
S-{4-[(2-Thienylsulfonyl)amino]phenyl}-dimethylcarbamothioat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 506.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 260.2±32.9 °C
Index of Refraction: 1.676
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 7.98
ACD/KOC (pH 5.5): 151.52
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.57
ACD/KOC (pH 7.4): 29.87
Polar Surface Area: 128 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 233.9±5.0 cm3

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