2,4-Dimethylphenylmethylsulfone

CAT: 0024-sc-335512ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-335512ASize:5 g

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CAS Number

6462-28-8

Chemical Information

2,4-Dimethyl-1-(methylsulfonyl)benzene

CAS Number	6462-28-8
PubChem CID	2758616
IUPAC Name	2,4-dimethyl-1-methylsulfonylbenzene
Molecular Formula	C9H12O2S
Molecular Weight	184.26
XLogP	1.9
Topological Polar Surface Area	42.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	238

SMILES

CC1=CC(=C(C=C1)S(=O)(=O)C)C

InChI

InChI=1S/C9H12O2S/c1-7-4-5-9(8(2)6-7)12(3,10)11/h4-6H,1-3H3

InChIKey

QTPNJZSUGOJDDN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6462-28-8

CID: 2758616

Formula: C9H12O2S

MW: 184.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.26
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	184.05580079
Monoisotopic Mass	184.05580079
Topological Polar Surface Area	42.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	238
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
sc-322733	3,4-Dimethylphenylmethylsulfone
sc-335564	2,5-Dimethylphenylmethylsulfone
sc-322104	2,6-Dimethylphenylmethylsulfone
sc-335871	3,5-Dimethylphenylmethylsulfone
sc-474953	2,2',4,4'-Tetramethylbenzophenone
sc-265948	2,2,4,4-Tetramethylpentane
sc-213935	2,2',4,4'-Tetranitrodiphenylmethane
sc-213934	2,2',4,4'-Tetranitrobenzophenone
sc-474043	2,2,4,4-Tetramethyloctane
sc-225586	2,2',4,4'-Tetrahydroxybenzophenone

Catalog	Name
PC1008376-01	2,2,2-Trifluoroethyl 4,4,4-trifluorobutyrate
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone
290091-01	2,2',4,4'-Tetranitrodiphenylmethane
290090-01	2,2',4,4'-Tetranitrobenzophenone
AR-O01033-01	2,2,4,4-Tetramethyloctane
AR-M03599-01	2,2,4,4-Tetrachlorodibenzylether
FT66823-01	2,2',4,4'-Tetramethylbenzophenone
T3000	2,2’,4,4’-Tetranitrobenzophenone
OR948311	2,2,4,4-Tetramethylcyclopentanone
FT55663-01	2,2',4,4'-tetrahydroxybenzophenone