ChemSpider 2D Image | (4S,6S)-4-(Ethylamino)-6-methyl-3a,5,6,7a-tetrahydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide | C10H18N2O4S3

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

  • Molecular FormulaC10H18N2O4S3
  • Average mass326.456 Da
  • Monoisotopic mass326.042877 Da
  • ChemSpider ID23499154

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(4S,6S) 7,7-Dioxyde de 4-(éthylamino)-6-méthyl-3a,5,6,7a-tétrahydro-4H-thiéno[2,3-b]thiopyrane-2-sulfonamide [French] [ACD/IUPAC Name]
(4S,6S)-4-(Ethylamino)-6-methyl-3a,5,6,7a-tetrahydro-4H-thieno[2,3-b]thiopyran-2-sulfonamid-7,7-dioxid [German] [ACD/IUPAC Name]
(4S,6S)-4-(Ethylamino)-6-methyl-3a,5,6,7a-tetrahydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide [ACD/IUPAC Name]
4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 4-(ethylamino)-3a,5,6,7a-tetrahydro-6-methyl-, 7,7-dioxide, (4S,6S)- [ACD/Index Name]
130693-82-2 [RN]
MFCD00865636 [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: 616.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.7±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 76.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.92
Polar Surface Area: 148 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 216.9±5.0 cm3

Click to predict properties on the Chemicalize site


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