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1- (4-methansulfinylphenyl) ethanone

CAT: 0013-GTR19155309-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19155309-01Size:1 g
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Description
The compound inhibits Ras function and therefore inhibits the abnormal growth of cells.
CAS Number
32361-73-2
Purity
>98% (HPLC)
Solubility
DMSO:10 mM
Smiles
CC (=O) C1=CC=C (C=C1) S (=O) C
Molecular Formula
C9H10O2S
Molecular Weight
182.24
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

1-(4-Methanesulfinylphenyl)ethan-1-one
CAS Number32361-73-2
PubChem CID11052281
IUPAC Name1-(4-methylsulfinylphenyl)ethanone
Molecular FormulaC9H10O2S
Molecular Weight182.24
XLogP0.7
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity193
SMILES
CC(=O)C1=CC=C(C=C1)S(=O)C
InChI
InChI=1S/C9H10O2S/c1-7(10)8-3-5-9(6-4-8)12(2)11/h3-6H,1-2H3
InChIKey
NTUFNCGULZBNCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Methanesulfinylphenyl)ethan-1-one
CAS: 32361-73-2
CID: 11052281
Formula: C9H10O2S
MW: 182.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.24
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass182.04015073
Monoisotopic Mass182.04015073
Topological Polar Surface Area53.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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