ChemSpider 2D Image | Methyl N-[(4-nitrophenyl)sulfonyl]carbamimidothioate | C8H9N3O4S2

Methyl N-[(4-nitrophenyl)sulfonyl]carbamimidothioate

  • Molecular FormulaC8H9N3O4S2
  • Average mass275.305 Da
  • Monoisotopic mass275.003448 Da
  • ChemSpider ID58185524

More details:

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

Carbamimidothioic acid, N-[(4-nitrophenyl)sulfonyl]-, methyl ester [ACD/Index Name]
Methyl N-[(4-nitrophenyl)sulfonyl]carbamimidothioate [ACD/IUPAC Name]
Methyl-N-[(4-nitrophenyl)sulfonyl]carbamimidothioat [German] [ACD/IUPAC Name]
N-[(4-Nitrophényl)sulfonyl]carbamimidothioate de méthyle [French] [ACD/IUPAC Name]
N-(4-NITROBENZENESULFONYL)(METHYLSULFANYL)METHANIMIDAMIDE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 439.7±47.0 °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: 219.7±29.3 °C
Index of Refraction: 1.670
Molar Refractivity: 64.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 70.8±7.0 dyne/cm
Molar Volume: 173.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement