ChemSpider 2D Image | (4S,6S)-4-[(~2~H_5_)Ethylamino]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide | C10H11D5N2O4S3

(4S,6S)-4-[(2H5)Ethylamino]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide

  • Molecular FormulaC10H11D5N2O4S3
  • Average mass329.471 Da
  • Monoisotopic mass329.058594 Da
  • ChemSpider ID48061736

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S,6S) 7,7-Dioxyde de 4-[(2H5)éthylamino]-6-méthyl-5,6-dihydro-4H-thiéno[2,3-b]thiopyrane-2-sulfonamide [French] [ACD/IUPAC Name]
(4S,6S)-4-[(2H5)Ethylamino]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamid-7,7-dioxid [German] [ACD/IUPAC Name]
(4S,6S)-4-[(2H5)Ethylamino]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide [ACD/IUPAC Name]
4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 4-(ethyl-d5-amino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S,6S)- [ACD/Index Name]
1227097-70-2 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 575.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 302.0±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 75.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.91
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.99
Polar Surface Area: 151 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 211.0±5.0 cm3

Click to predict properties on the Chemicalize site


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