ChemSpider 2D Image | (3R)-6-Chloro-3-isobutyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide | C11H16ClN3O4S2

(3R)-6-Chloro-3-isobutyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

  • Molecular FormulaC11H16ClN3O4S2
  • Average mass353.845 Da
  • Monoisotopic mass353.027069 Da
  • ChemSpider ID34994890

  • 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-isobutyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide [French] [ACD/IUPAC Name]
(3R)-6-Chlor-3-isobutyl-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-sulfonamid-1,1-dioxid [German] [ACD/IUPAC Name]
(3R)-6-Chloro-3-isobutyl-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-methylpropyl)-, 1,1-dioxide, (3R)- [ACD/Index Name]
96783-07-2 [RN]
2043-38-1 [RN]
218-048-8 [EINECS]
Buthiazide [USAN]
UNII-W00SSD35VW

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

6BO07NFH3Y [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 562.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.1±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 81.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.36
ACD/KOC (pH 5.5): 64.35
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 2.29
ACD/KOC (pH 7.4): 62.36
Polar Surface Area: 135 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 246.8±3.0 cm3

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