ChemSpider 2D Image | (4S)-4-(Ethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide | C9H14N2O4S3

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

  • Molecular FormulaC9H14N2O4S3
  • Average mass310.414 Da
  • Monoisotopic mass310.011566 Da
  • ChemSpider ID26348626

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S) 7,7-Dioxyde de 4-(éthylamino)-5,6-dihydro-4H-thiéno[2,3-b]thiopyrane-2-sulfonamide [French] [ACD/IUPAC Name]
(4S)-4-(Ethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamid-7,7-dioxid [German] [ACD/IUPAC Name]
(4S)-4-(Ethylamino)-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-(ethylamino)-5,6-dihydro-, 7,7-dioxide, (4S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1789876/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 584.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.4±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 70.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.00
Polar Surface Area: 151 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 194.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement