Found 3 results

Search term: SNSJBSLKHBITIU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 6-({4,4-Bis[(~2~H_3_)methyl]-1,1-dioxido(3,3-~2~H_2_)-3,4-dihydro-2H-thiochromen-6-yl}ethynyl)nicotinic acid | C19H9D8NO4S

6-({4,4-Bis[(2H3)methyl]-1,1-dioxido(3,3-2H2)-3,4-dihydro-2H-thiochromen-6-yl}ethynyl)nicotinic acid

  • Molecular FormulaC19H9D8NO4S
  • Average mass363.457 Da
  • Monoisotopic mass363.138031 Da
  • ChemSpider ID58794358

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Pyridinecarboxylic acid, 6-[2-[3,4-dihydro-3-d-4,4-di(methyl-d3)-1,1-dioxido-2H-1-benzothiopyran-6-yl-3-d]ethynyl]- [ACD/Index Name]
6-({4,4-Bis[(2H3)methyl]-1,1-dioxido(3,3-2H2)-3,4-dihydro-2H-thiochromen-6-yl}ethinyl)nicotinsäure [German] [ACD/IUPAC Name]
6-({4,4-Bis[(2H3)methyl]-1,1-dioxido(3,3-2H2)-3,4-dihydro-2H-thiochromen-6-yl}ethynyl)nicotinic acid [ACD/IUPAC Name]
Acide 6-({4,4-bis[(2H3)méthyl]-1,1-dioxydo(3,3-2H2)-3,4-dihydro-2H-thiochromén-6-yl}éthynyl)nicotinique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 615.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 325.9±31.5 °C
Index of Refraction: 1.660
Molar Refractivity: 92.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.64
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 73.0±5.0 dyne/cm
Molar Volume: 251.2±5.0 cm3

Click to predict properties on the Chemicalize site


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