ChemSpider 2D Image | 4-(4-Thiomorpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid | C9H12N2O4S2

4-(4-Thiomorpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid

  • Molecular FormulaC9H12N2O4S2
  • Average mass276.333 Da
  • Monoisotopic mass276.023834 Da
  • ChemSpider ID26053282

More details:

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

1042649-64-8 [RN]
1H-Pyrrole-2-carboxylic acid, 4-(4-thiomorpholinylsulfonyl)- [ACD/Index Name]
4-(4-Thiomorpholinylsulfonyl)-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
4-(4-Thiomorpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
4-(thiomorpholine-4-sulfonyl)-1H-pyrrole-2-carboxylic acid
Acide 4-(4-thiomorpholinylsulfonyl)-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC Name]
4-(Thiomorpholinosulfonyl)-1H-pyrrole-2-carboxylic acid
MFCD11172091 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 592.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 312.0±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 64.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.97
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 74.6±3.0 dyne/cm
Molar Volume: 175.1±3.0 cm3

Click to predict properties on the Chemicalize site


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