Benzhydryl ethyl sulfone

CAT: 1266-JH445612Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH445612Size:1 Each

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CAS Number

6974-50-1

Molecular Formula

C15H16O2S

Safety Statements

S22-S24/25

Chemical Information

1,1'-((Ethylsulfonyl)methylene)bis(benzene)

CAS Number	6974-50-1
PubChem CID	229826
IUPAC Name	[ethylsulfonyl(phenyl)methyl]benzene
Molecular Formula	C15H16O2S
Molecular Weight	260.4
XLogP	3.2
Topological Polar Surface Area	42.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	312

SMILES

CCS(=O)(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C15H16O2S/c1-2-18(16,17)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3

InChIKey

XISJKSBIOORRSE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6974-50-1

CID: 229826

Formula: C15H16O2S

MW: 260.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.4
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	260.08710092
Monoisotopic Mass	260.08710092
Topological Polar Surface Area	42.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	312
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JH919084	3-Benzhydryl-morpholine
JH697635	Benzhydryl 4-methylbenzenesulfonate
JH914196	Methyl vinyl sulfone
JH917396	Ethyl 2-hydroxyethyl sulfide
JH469676	Bis (3-amino-4-hydroxyphenyl) Sulfone
JH919322	Ethyl formate
JH98978	Ethyl myristate
JH460211	Ethyl diethoxyphosphorylmethanesulfonate
JH918716	Ethyl crotonate
JH912669	Ethyl lactate

Catalog	Name
sc-337561	Benzhydryl 6,6-dibromopenicillinate sulfone
40500042-2	Ethyl Sulfone
sc-228082	Ethyl vinyl sulfone
OR936735-01	Ethyl methyl sulfone
OR936236-01	Ethyl isopropyl sulfone
275781-01	Ethyl phenyl sulfone
237722-01	Ethyl phenyl sulfone 98+%
E16381-01	Ethyl vinyl sulfone 95%
AR-T05629-01	Ethyl p-Tolyl Sulfone
E11048-01	Ethyl hydroxyethyl sulfone 95%