1,1-Bis(phenylsulfonyl)ethylene - CAS 39082-53-6

Catalog:	BB023832
Product Name:	1,1-Bis(phenylsulfonyl)ethylene
CAS:	39082-53-6
Synonyms:	1-(benzenesulfonyl)ethenylsulfonylbenzene

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Computed Properties

IUPAC Name:	1-(benzenesulfonyl)ethenylsulfonylbenzene
Description:	1,1-Bis(phenylsulfonyl)ethylene (CAS# 39082-53-6 ) is a useful research chemical.
Molecular Weight:	308.37
Molecular Formula:	C14H12O4S2
Canonical SMILES:	C=C(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2
InChI:	InChI=1S/C14H12O4S2/c1-12(19(15,16)13-8-4-2-5-9-13)20(17,18)14-10-6-3-7-11-14/h2-11H,1H2
InChI Key:	KABQEPJVQFXVIN-UHFFFAOYSA-N
Boiling Point:	567.9 °C at 760 mmHg
Melting Point:	124-126 °C
Purity:	≥ 98 %
Density:	1.347 g/cm³
Appearance:	Beige powder
LogP:	4.56700

Publication Number	Title	Priority Date
WO-2021060517-A1	Method for producing derivative of organic substance and method for analyzing sample containing organic substance	20190926
WO-2020187548-A1	Gas-activated cyanoacrylates for 3d-printing	20190315
EP-3708370-A1	3d-printing method using gas-activated cyanoacrylates	20190315
US-2018120708-A1	Rinsing liquid, pattern forming method, and electronic device manufacturing method	20150623
WO-2012008510-A1	Actinic-ray- or radiation-sensitive resin composition and method of forming pattern using the same	20100713

PMID	Publication Date	Title	Journal
20838691	20101028	Highly stereoselective synthesis of indanes with four stereogenic centers via sequential Michael reaction and [3+2] cycloaddition	Chemical communications (Cambridge, England)
20209524	20100510	Enantioselective organocatalytic addition of oxazolones to 1,1-bis(phenylsulfonyl)ethylene: a convenient asymmetric synthesis of quaternary alpha-amino acids	Chemistry (Weinheim an der Bergstrasse, Germany)
20234917	20100407	Chiral primary amine mediated conjugate addition of branched aldehydes to vinyl sulfone: asymmetric generation of quaternary carbon centers	Chemical communications (Cambridge, England)

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Complexity:	487
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	308.01770121
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	308.01770121
Rotatable Bond Count:	4
Topological Polar Surface Area:	85
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7