Found 23 results

Search term: MF = 'C_{21}H_{24}N_{2}O_{9}S_{2}'
ChemSpider 2D Image | 4-Methoxybenzyl (1E)-N-{2-[2-(carboxyoxy)-5-nitrophenyl]-1-(ethylsulfonyl)ethyl}-2-hydroxyethanimidothioate | C21H24N2O9S2

4-Methoxybenzyl (1E)-N-{2-[2-(carboxyoxy)-5-nitrophenyl]-1-(ethylsulfonyl)ethyl}-2-hydroxyethanimidothioate

  • Molecular FormulaC21H24N2O9S2
  • Average mass512.553 Da
  • Monoisotopic mass512.092346 Da
  • ChemSpider ID50645239

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E)-N-{2-[2-(Carboxyoxy)-5-nitrophényl]-1-(éthylsulfonyl)éthyl}-2-hydroxyéthanimidothioate de 4-méthoxybenzyle [French] [ACD/IUPAC Name]
136743-24-3 [RN]
4-Methoxybenzyl (1E)-N-{2-[2-(carboxyoxy)-5-nitrophenyl]-1-(ethylsulfonyl)ethyl}-2-hydroxyethanimidothioate [ACD/IUPAC Name]
4-Methoxybenzyl-(1E)-N-{2-[2-(carboxyoxy)-5-nitrophenyl]-1-(ethylsulfonyl)ethyl}-2-hydroxyethanimidothioat [German] [ACD/IUPAC Name]
Ethanimidothioic acid, N-[2-[2-(carboxyoxy)-5-nitrophenyl]-1-(ethylsulfonyl)ethyl]-2-hydroxy-, (4-methoxyphenyl)methyl ester, (1E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 761.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 414.3±35.7 °C
Index of Refraction: 1.611
Molar Refractivity: 125.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.92
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 361.2±7.0 cm3

Click to predict properties on the Chemicalize site


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