ChemSpider 2D Image | Dimethenamid-OXA | C12H17NO4S


  • Molecular FormulaC12H17NO4S
  • Average mass271.333 Da
  • Monoisotopic mass271.087830 Da
  • ChemSpider ID28290255

More details:

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

[(2,4-Dimethyl-3-thienyl)(1-methoxy-2-propanyl)amino](oxo)acetic acid
[(2,4-Dimethyl-3-thienyl)(1-methoxy-2-propanyl)amino](oxo)essigsäure [German] [ACD/IUPAC Name]
[(2,4-dimethylthiophen-3-yl)(1-methoxypropan-2-yl)carbamoyl]formic acid
2-[(2,4-Dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino]-2-oxoacetic acid [ACD/IUPAC Name]
380412-59-9 [RN]
Acetic acid, 2-[(2,4-dimethyl-3-thienyl)(2-methoxy-1-methylethyl)amino]-2-oxo- [ACD/Index Name]
Acide [(2,4-diméthyl-3-thiényl)(1-méthoxy-2-propanyl)amino](oxo)acétique [French] [ACD/IUPAC Name]
[(2,4-Dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino](oxo)acetic acid
  • Miscellaneous
    • Chemical Class:

      A monocarboxylic acid that is oxoacetic acid substituted by a (2,4-dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino group at position 2. It is a metabolite of the herbicide dimethenamid. ChEBI CHEBI:83460

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

Density: 1.3±0.1 g/cm3
Boiling Point: 399.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 195.4±30.7 °C
Index of Refraction: 1.572
Molar Refractivity: 70.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 214.0±3.0 cm3

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