ChemSpider 2D Image | ({2-[(2,6-Dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid | C16H19N3O4S

({2-[(2,6-Dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid

  • Molecular FormulaC16H19N3O4S
  • Average mass349.405 Da
  • Monoisotopic mass349.109619 Da
  • ChemSpider ID71047190

More details:

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

({2-[(2,6-Dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid [ACD/IUPAC Name]
({2-[(2,6-Dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl]sulfinyl]- [ACD/Index Name]
Acide ({2-[(2,6-diméthylphényl)(1H-pyrazol-1-ylméthyl)amino]-2-oxoéthyl}sulfinyl)acétique [French] [ACD/IUPAC Name]
1246215-97-3 [RN]
2-[2-[2,6-dimethyl-N-(pyrazol-1-ylmethyl)anilino]-2-oxoethyl]sulfinylacetic acid
BH479-9
Metazachlor-sulfinyl-acetic acid BH 479-9

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

Density: 1.4±0.1 g/cm3
Boiling Point: 655.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 350.5±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 258.7±7.0 cm3

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