AG003CPI

963-15-5 | (Z)-1,2-Bis(phenylsulfonyl)ethene

AG003CPI

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CAS Number	963-15-5
Catalog Number	AG003CPI(AGN-PC-0OOCIB)
Chemical Name	(Z)-1,2-Bis(phenylsulfonyl)ethene
IUPAC Name	[(Z)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene
InChI	InChI=1S/C14H12O4S2/c15-19(16,13-7-3-1-4-8-13)11-12-20(17,18)14-9-5-2-6-10-14/h1-12H/b12-11-
InChI Key	YGBXMKGCEHIWMO-QXMHVHEDSA-N
MDL Number	MFCD00010140
Molecular Formula	C14H12O4S2
Molecular Weight	308.3727
NSC Number	202472
SMILES	O=S(/C=CS(=O)(C1=CC=CC=C1)=O)(C2=CC=CC=C2)=O
Synonyms	(Z)-1,2-Bis(phenylsulfonyl)ethene, 963-15-5, cis-1,2-Bis(phenylsulfonyl)ethylene, [(Z)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene, AC1NTMA1, SCHEMBL2787588, MFCD00010140, NSC202472, ZINC31723568, (z)-1,2-bis(phenylsulfonyl)ethylene, AKOS024258199, NSC-202472, AJ-84301, AK151470, DA-00141, AX8288077, ST24036504, ST50998284, (Z)-1-(2-(phenylsulfonyl)vinylsulfonyl)benzene, {[(1Z)-2-(phenylsulfonyl)vinyl]sulfonyl}benzene, CIS-1,2-BIS(PHENYLSULFONYL)ETHYLENE 98+%, Benzene,1,1'-[1,2-ethenediylbis(sulfonyl)]bis-, (Z), NSC202471, ACN-053872, CID5383944, CIS-1,2-DI(PHENYLSULFONYL)ETHYLENE, B1573, Benzene, 1,1'-[(1Z)-1,2-ethenediylbis(sulfonyl)]bis-,

Complexity	473
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	308.018g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	308.366g/mol
Monoisotopic Mass	308.018g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	85A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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