ChemSpider 2D Image | 2-Carbamoyl-3-isopropoxy-5-methoxy-1-benzothiophenium-1-olate | C13H15NO4S

2-Carbamoyl-3-isopropoxy-5-methoxy-1-benzothiophenium-1-olate

  • Molecular FormulaC13H15NO4S
  • Average mass281.328 Da
  • Monoisotopic mass281.072174 Da
  • ChemSpider ID28644153

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Carbamoyl-3-isopropoxy-5-methoxy-1-benzothiophenium-1-olat [German] [ACD/IUPAC Name]
2-Carbamoyl-3-isopropoxy-5-methoxy-1-benzothiophenium-1-olate [ACD/IUPAC Name]
2-Carbamoyl-3-isopropoxy-5-méthoxy-1-benzothiophénium-1-olate [French] [ACD/IUPAC Name]
Benzo[b]thiophenium, 2-(aminocarbonyl)-1-hydroxy-5-methoxy-3-(1-methylethoxy)-, inner salt [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 71.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 85 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 198.5±7.0 cm3

Click to predict properties on the Chemicalize site


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