2-Fluoro-6- (methylthio) phenol

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CAS Number

197149-26-1

MDL Number

MFCD16999043

Purity

97%

Smiles

C1ccc (c (c1F) O) SC

Chemical Information

2-Fluoro-6-(methylthio)phenol

CAS Number	197149-26-1
PubChem CID	10487144
IUPAC Name	2-fluoro-6-methylsulfanylphenol
Molecular Formula	C7H7FOS
Molecular Weight	158.20
XLogP	2.2
Topological Polar Surface Area	45.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	110

SMILES

CSC1=CC=CC(=C1O)F

InChI

InChI=1S/C7H7FOS/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3

InChIKey

STCGISDXTCOTRG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 197149-26-1

CID: 10487144

Formula: C7H7FOS

MW: 158.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.20
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	158.02016418
Monoisotopic Mass	158.02016418
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110
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
PC1013126-01	6-Bromo-3-fluoro-2- (methylthio) phenol
PC1013190	2-Bromo-6-fluoro-3- (methylthio) phenol
PC1017214-01	2-Chloro-4-fluoro-6- (methylthio) phenol
PC1017205-01	6-fluoro-3-methoxy-2- (methylthio) phenol
PC1017066	2-Fluoro-6-iodo-3- (methylthio) phenol
PC1017031-01	2-Fluoro-3- (methylthio) -6- (trifluoromethyl) phenol
PC1017122-01	3-Fluoro-6-methyl-2- (methylthio) phenol
PC1016904-01	2-Fluoro-3-methyl-6- (methylthio) phenol
PC1023632-01	2-Fluoro-4- (methylthio) phenol
PC910228	5-Fluoro-2- (methylthio) phenol

Catalog	Name
JH609209	2- (Methylthio) phenol
sc-494954	2-Methoxy-6- ({[4- (methylthio) phenyl]amino}methyl) phenol
sc-494278	2-ethoxy-6- ({[4- (methylthio) phenyl]amino}methyl) phenol
sc-494260	2-ethoxy-6- ({[4- (methylthio) benzyl]amino}methyl) phenol
sc-495270	2-Ethoxy-6- ((E) -{[3- (methylthio) phenyl]imino}methyl) phenol
sc-495150	2-ethoxy-6- ((E) -{[4- (methylthio) phenyl]imino}methyl) phenol
sc-494904	2-methoxy-6- ((E) -{[4- (methylthio) phenyl]imino}methyl) phenol
sc-493427	2- ({[4- (Methylthio) phenyl]amino}methyl) phenol
sc-493462	2- ({[3- (Methylthio) phenyl]amino}methyl) phenol
sc-495127	2- ((E) -{[4- (methylthio) phenyl]imino}methyl) phenol