2- (Methylsulphinyl) phenol

CAT: 0024-sc-259304Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-259304Size:1 g

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CAS Number

1074-02-8

Chemical Information

2-(Methylsulfinyl)phenol

CAS Number	1074-02-8
PubChem CID	588090
IUPAC Name	2-methylsulfinylphenol
Molecular Formula	C7H8O2S
Molecular Weight	156.20
XLogP	1.2
Topological Polar Surface Area	56.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	136

SMILES

CS(=O)C1=CC=CC=C1O

InChI

InChI=1S/C7H8O2S/c1-10(9)7-5-3-2-4-6(7)8/h2-5,8H,1H3

InChIKey

VMTHIQRJDDCEQD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1074-02-8

CID: 588090

Formula: C7H8O2S

MW: 156.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.20
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	156.02450067
Monoisotopic Mass	156.02450067
Topological Polar Surface Area	56.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-261421A	4- (Methylsulphinyl) phenol
sc-261421	4- (Methylsulphinyl) phenol
sc-259303	2- (Methylsulphinyl) benzoic acid
sc-259302A	2- (Methylsulphinyl) benzeneboronic acid
sc-259305	2- (Methylsulphonyl) phenol
sc-259305A	2- (Methylsulphonyl) phenol
sc-259302	2- (Methylsulphinyl) benzeneboronic acid
sc-258705A	1-Bromo-4- (methylsulphinyl) benzene
sc-267162	4- (Methylsulphinyl) benzeneboronic acid
sc-258705	1-Bromo-4- (methylsulphinyl) benzene

Catalog	Name
OR3525-01	4- (Methylsulphinyl) phenol
OR16149-01	2- (Methylsulphinyl) benzoic acid
OR10558-01	2- (Methylsulphinyl) benzeneboronic acid
OR10559-01	4- (Methylsulphinyl) benzeneboronic acid
OR25484	1-chloro-2- (methylsulphinyl) benzene
FP01241-01	Phenol
OR25673	Ethyl 4,6-dichloro-2- (methylsulphinyl) quinoline-3-carboxylate
OR25674	Ethyl 4,8-dichloro-2- (methylsulphinyl) quinoline-3-carboxylate
PB4112	Phenol, crystalline
TRC-C350175-100MG	Asenapine Phenol