ChemSpider 2D Image | (3R)-6-Chloro-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide | C10H11ClF3N3O4S3

(3R)-6-Chloro-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

  • Molecular FormulaC10H11ClF3N3O4S3
  • Average mass425.855 Da
  • Monoisotopic mass424.955231 Da
  • ChemSpider ID32786919

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R) 1,1-Dioxyde de 6-chloro-3-{[(2,2,2-trifluoroéthyl)sulfanyl]méthyl}-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide [French] [ACD/IUPAC Name]
(3R)-6-Chlor-3-{[(2,2,2-trifluorethyl)sulfanyl]methyl}-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-sulfonamid-1,1-dioxid [German] [ACD/IUPAC Name]
(3R)-6-Chloro-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide [ACD/IUPAC Name]
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[[(2,2,2-trifluoroethyl)thio]methyl]-, 1,1-dioxide, (3R)- [ACD/Index Name]
1764-85-8 [RN]
217-181-9 [EINECS]
Epithiazide [USAN]
UNII-5B266B85J1

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

Density: 1.6±0.1 g/cm3
Boiling Point: 586.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.6±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 85.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.56
ACD/KOC (pH 5.5): 86.34
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.13
ACD/KOC (pH 7.4): 75.93
Polar Surface Area: 160 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 260.2±3.0 cm3

Click to predict properties on the Chemicalize site


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