ChemSpider 2D Image | 5-(Methoxycarbonyl)-5,6-dihydro-2H-1,4-thiazine-3-carboxylic acid | C7H9NO4S

5-(Methoxycarbonyl)-5,6-dihydro-2H-1,4-thiazine-3-carboxylic acid

  • Molecular FormulaC7H9NO4S
  • Average mass203.216 Da
  • Monoisotopic mass203.025223 Da
  • ChemSpider ID22547538

More details:

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

2H-1,4-Thiazine-3,5-dicarboxylic acid, 3,6-dihydro-, 3-methyl ester [ACD/Index Name]
5-(Methoxycarbonyl)-5,6-dihydro-2H-1,4-thiazin-3-carbonsäure [German] [ACD/IUPAC Name]
5-(Methoxycarbonyl)-5,6-dihydro-2H-1,4-thiazine-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-(méthoxycarbonyl)-5,6-dihydro-2H-1,4-thiazine-3-carboxylique [French] [ACD/IUPAC Name]
3-(methoxycarbonyl)-2,3-dihydro-6H-1,4-thiazine-5-carboxylic acid
3-methoxycarbonyl-3,6-dihydro-2H-1,4-thiazine-5-carboxylic acid
860175-46-8 [RN]
MFCD11505023 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 386.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.7±6.0 kJ/mol
Flash Point: 187.3±30.7 °C
Index of Refraction: 1.620
Molar Refractivity: 46.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -3.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 133.4±7.0 cm3

Click to predict properties on the Chemicalize site


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