Ethylsulfonylmethylbenzene

CAT: 0013-GTR19252536-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19252536-01Size:100 mg

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Description

Ethylsulfonylmethylbenzene

CAS Number

772-47-4

Smiles

CCS (=O) (=O) Cc1ccccc1

Molecular Formula

C9H12O2S

Molecular Weight

184.26

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Benzyl ethyl sulfone

CAS Number	772-47-4
PubChem CID	248355
IUPAC Name	ethylsulfonylmethylbenzene
Molecular Formula	C9H12O2S
Molecular Weight	184.26
XLogP	1.2
Topological Polar Surface Area	42.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	207

SMILES

CCS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C9H12O2S/c1-2-12(10,11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey

RLVXXYWTYPOVND-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 772-47-4

CID: 248355

Formula: C9H12O2S

MW: 184.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.26
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	184.05580079
Monoisotopic Mass	184.05580079
Topological Polar Surface Area	42.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	207
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
OR911143-01	Ethylsulfonylmethylbenzene