ChemSpider 2D Image | (4S,6R)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide | C10H16N2O4S3

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

  • Molecular FormulaC10H16N2O4S3
  • Average mass324.440 Da
  • Monoisotopic mass324.027222 Da
  • ChemSpider ID23109681

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,6R) 7,7-Dioxyde de 4-(éthylamino)-6-méthyl-5,6-dihydro-4H-thiéno[2,3-b]thiopyrane-2-sulfonamide [French] [ACD/IUPAC Name]
(4S,6R)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamid-7,7-dioxid [German] [ACD/IUPAC Name]
(4S,6R)-4-(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-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S,6R)- [ACD/Index Name]
(4R,6S)-4-ethylamino-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide
(4R,6S)-4-ethylamino-7,7-diketo-6-methyl-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide
(4S,6R)-4-Ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7λ*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide
120279-90-5 [RN]
brizolamide
CAS-130693-82-2
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCGC00016977-01 [DBID]
UNII-A4JPI6XU9A [DBID]

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

Density: 1.5±0.0 g/cm3
Boiling Point: 575.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 86.2±0.0 kJ/mol
Flash Point: 302.0±0.0 °C
Index of Refraction: 1.634
Molar Refractivity: 75.5±0.0 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): -2.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.46
Polar Surface Area: 151 Å2
Polarizability: 29.9±0.0 10-24cm3
Surface Tension: 69.4±0.0 dyne/cm
Molar Volume: 211.0±0.0 cm3

Click to predict properties on the Chemicalize site


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