ChemSpider 2D Image | L-693612 | C14H24N2O5S3

L-693612

  • Molecular FormulaC14H24N2O5S3
  • Average mass396.546 Da
  • Monoisotopic mass396.084717 Da
  • ChemSpider ID32701566
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4S,6S) 7,7-Dioxyde de 6-(3-méthoxypropyl)-4-(propylamino)-5,6-dihydro-4H-thiéno[2,3-b]thiopyrane-2-sulfonamide [French] [ACD/IUPAC Name]
(4S,6S)-6-(3-Methoxypropyl)-4-(propylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamid-7,7-dioxid [German] [ACD/IUPAC Name]
(4S,6S)-6-(3-Methoxypropyl)-4-(propylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide [ACD/IUPAC Name]
138301-71-0 [RN]
23D38XR59V
4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 5,6-dihydro-6-(3-methoxypropyl)-4-(propylamino)-, 7,7-dioxide, (4S,6S)- [ACD/Index Name]
L-693612
UNII:23D38XR59V
UNII-23D38XR59V

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 605.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.8±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 95.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.47
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.76
Polar Surface Area: 161 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 282.0±5.0 cm3

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