TazaroteneSulfoxide
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TazaroteneSulfoxide
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CAS No:
864841-56-5
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Formula:
C21H21NO3S
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Chemical Name:
TazaroteneSulfoxide
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Synonyms:
Tazarotene Sulfoxide;BJSYAJPOMFRVOI-UHFFFAOYSA-N;ethyl 6-((4,4-dimethyl-1-oxidothiochroman-6-yl)ethynyl)nicotinate;Tazarotene Impurity 3（Tazarotene Sulfoxide）;3-Pyridinecarboxylic acid, 6-[2-(3,4-dihydro-4,4-dimethyl-1-oxido-2H-1-benzothiopyran-6-yl)ethynyl]-, ethyl ester
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CAS No:
Characteristics
1.29±0.1 g/cm3
144-146 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
558.1±50.0 °C(Predicted)
0.00±0.29
Computed Properties
Molecular Weight:367.5
XLogP3:3.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:367.12421471
Monoisotopic Mass:367.12421471
Topological Polar Surface Area:75.5
Heavy Atom Count:26
Complexity:617
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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