4- (Methylsulfonyl) phenol

CAT: 0926-FM36053-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FM36053-01Size:25 g

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CAS Number

14763-60-1

Synonyms

4-Hydroxyphenyl methyl sulfone;4-Methanesulphonylphenol

MDL Number

MFCD00047806

Smiles

CS (=O) (=O) C1=CC=C (C=C1) O

Molecular Formula

C7H8O3S

Molecular Weight

172.2 g/mol

Controlled

Chemical Information

4-(Methylsulfonyl)phenol

CAS Number	14763-60-1
PubChem CID	123350
IUPAC Name	4-methylsulfonylphenol
Molecular Formula	C7H8O3S
Molecular Weight	172.20
XLogP	0.1
Topological Polar Surface Area	62.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	206

SMILES

CS(=O)(=O)C1=CC=C(C=C1)O

InChI

InChI=1S/C7H8O3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5,8H,1H3

InChIKey

KECCFSZFXLAGJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14763-60-1

CID: 123350

Formula: C7H8O3S

MW: 172.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.20
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	172.01941529
Monoisotopic Mass	172.01941529
Topological Polar Surface Area	62.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	206
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
XAA82180-01	4'- (Methylsulfonyl) acetanilide
SAA07515	4- (Methylsulfonyl) pyridine
ZIB02096	2- (4-Methylsulfonyl-phenyl) -ethylaminehydrochloride
XAA82176-01	4- (Methylsulfonyl) benzonitrile
MJB12972-01	4- (Methylsulfonyl) cyclohexanone
DAA79576-01	2-Methyl-4- (methylsulfanyl) phenol
TZB45810-01	3-Bromo-4- (methylsulfanyl) phenol
MBA40724-01	4-amino-3- (methylsulfanyl) phenol
KCA27740-01	4-[4- (Aminomethyl) phenyl]phenol
AMA35518-01	Methyl 2- (4- (methylsulfonyl) phenyl) acetate

Catalog	Name
429623-01	4- (Methylsulfonyl) phenol
232665-01	4- (Methylsulfonyl) phenol 99+% (HPLC)
OR1071223-01	4-Methyl-2- (methylsulfonyl) phenol
OR1049878-01	2-Methoxy-4- (methylsulfonyl) phenol
PC910306	3-Fluoro-4- (methylsulfonyl) phenol
OR1046762-01	2-Chloro-4- (methylsulfonyl) phenol
OR61626-01	2-Bromo-4- (methylsulfonyl) phenol
OR400916	4-Bromo-2- (methylsulfonyl) phenol
PC510174	3,5-Difluoro-4- (methylsulfonyl) phenol
sc-492979	2- ({[4- (methylsulfonyl) phenyl]amino}methyl) phenol