Found 138 results

Search term: MF = 'C_{8}H_{11}N_{3}O_{6}S'
ChemSpider 2D Image | 2,2'-{[(1-Methyl-1H-pyrazol-4-yl)sulfonyl]imino}diacetic acid | C8H11N3O6S

2,2'-{[(1-Methyl-1H-pyrazol-4-yl)sulfonyl]imino}diacetic acid

  • Molecular FormulaC8H11N3O6S
  • Average mass277.254 Da
  • Monoisotopic mass277.036865 Da
  • ChemSpider ID43278727

More details:

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

2,2'-{[(1-Methyl-1H-pyrazol-4-yl)sulfonyl]imino}diacetic acid [ACD/IUPAC Name]
2,2'-{[(1-Methyl-1H-pyrazol-4-yl)sulfonyl]imino}diessigsäure [German] [ACD/IUPAC Name]
Acide 2,2'-{[(1-méthyl-1H-pyrazol-4-yl)sulfonyl]imino}diacétique [French] [ACD/IUPAC Name]
Glycine, N-(carboxymethyl)-N-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 594.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.4±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 60.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -4.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 74.3±7.0 dyne/cm
Molar Volume: 167.8±7.0 cm3

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