NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[(benzenesulfonyl)methyl]benzene
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phenylmethanesulfonylbenzene
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IUPAC Traditional name
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benzyl phenyl sulfone
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phenylmethanesulfonylbenzene
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Synonyms
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BENZYL PHENYL SULFONE
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Benzyl phenyl sulfone
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(Benzylsulfonyl)benzene
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苄基苯基砜
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CAS Number
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EC Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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17.817692
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H Acceptors
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2
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H Donor
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0
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LogD (pH = 5.5)
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2.6902168
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LogD (pH = 7.4)
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2.6902168
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Log P
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2.6902168
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Molar Refractivity
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64.5912 cm3
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Polarizability
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25.898087 Å3
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Polar Surface Area
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34.14 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
MP Biomedicals
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Active methylene compound: the lithio-derivative reacts with carbonyl compounds to give vinyl sulfones which can be reductively cleaved, e.g. with Al amalgam, to alkenes, in a reaction analogous to the Julia olefination (see Ethyl phenyl sulfone, A10710): J. Chem. Soc., Chem. Commun., 351 (1973). Reaction with an aldehyde in the presence of n-BuLi, followed by LiHMDS, provides a one-pot double elimination route to acetylenes: Chem. Eur. J., 5, 1355 (1999). For use in a cyclopropane synthesis, see Ethyl 4-bromocrotonate, A10371.
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PATENTS
PATENTS
PubChem Patent
Google Patent