(5R) -5-Methyl-2- (phenylsulfinyl) cyclohexanone

CAT: 0024-sc-482754Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-482754Size:250 mg

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CAS Number

88154-77-2

Chemical Information

(5R)-2-(Benzenesulfinyl)-5-methylcyclohexan-1-one

CAS Number	88154-77-2
PubChem CID	11118048
IUPAC Name	(5R)-2-(benzenesulfinyl)-5-methylcyclohexan-1-one
Molecular Formula	C13H16O2S
Molecular Weight	236.33
XLogP	2.2
Topological Polar Surface Area	53.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	282

SMILES

C[C@@H]1CCC(C(=O)C1)S(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16O2S/c1-10-7-8-13(12(14)9-10)16(15)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3/t10-,13?,16?/m1/s1

InChIKey

IOEXQTWDEVPGTC-NBZBQWRSSA-N

Chemical Structure

2D Structure

CAS: 88154-77-2

CID: 11118048

Formula: C13H16O2S

MW: 236.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.33
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	236.08710092
Monoisotopic Mass	236.08710092
Topological Polar Surface Area	53.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	282
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-470932	(5R) -5-Methyl-2- (phenylthio) cyclohexanone (Mixture of Diastereomers)
sc-491213	(2S,3S,4S,5R) -5-Hydroxy-2,3,4-tris (phenylmethoxy) -5-[ (phenylmethoxy) methyl]-cyclohexanone
sc-491214	(2R,3S,4S,5R) -5-Hydroxy-2,3,4-tris (phenylmethoxy) -5-[ (phenylmethoxy) methyl]-cyclohexanone
sc-488450	(2R,3S,4R,5R) -5-Hydroxy-2,3,4-tris (phenylmethoxy) -5-[ (phenylmethoxy) methyl]-cyclohexanone
sc-274118	2-[ (Dimethylamino) methyl]cyclohexanone hydrochloride
sc-265312	2- (Phenylsulfinyl) acetamidoxime
sc-288599	(2R,5R) - (+) -5-Benzyl-3-methyl-2- (5-methyl-2-furyl) -4-imidazolidinone
sc-239016A	(4S,5R) - (-) -4-Methyl-5-phenyl-2-oxazolidinone
sc-474331	(5R) -Tetrahydro-5-methyl-2H-pyran-2-one
sc-239016	(4S,5R) - (-) -4-Methyl-5-phenyl-2-oxazolidinone

Catalog	Name
282533-01	(5R) -5-Methyl-2- (phenylsulfinyl) -cyclohexanone
MBS6097087-01	(5R)-5-Methyl-2-(phenylsulfinyl)cyclohexanone
016676	(5R) -5-Methyl-2- (phenylsulfinyl) cyclohexanone
017083	(5R) -5-Methyl-2- (phenylthio) cyclohexanone (Mixture of Diastereomers)
MBS6070715-01	(5R)-5-Methyl-2-(phenylthio)cyclohexanone (Mixture of Diastereomers)
OR1061287-01	Rel- (2S,5R) -5-methyl-2- (1-methylethyl) -cyclohexanone
OR1007997-01	(2R,5R) -2-Methyl-5- (Prop-1-En-2-Yl) Cyclohexanone
421711	(2R,3S,4R,5R) -5-Hydroxy-2,3,4-tris (phenylmethoxy) -5-[ (phenylmethoxy) methyl]-cyclohexanone
TRC-H949355-100MG	(2R,3S,4R,5R)-5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-cyclohexanone
421716	(2R,3S,4S,5R) -5-Hydroxy-2,3,4-tris (phenylmethoxy) -5-[ (phenylmethoxy) methyl]-cyclohexanone