(2-Ethoxy-6-fluorophenyl) (methyl) sulfane

CAT: 0127-PC1022088-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1022088-01Size:250 mg

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CAS Number

862401-43-2

MDL Number

MFCD34564234

Purity

97%

Smiles

C1ccc (c (c1F) SC) OCC

Chemical Information

(2-Ethoxy-6-fluorophenyl)(methyl)sulfane

CAS Number	862401-43-2
PubChem CID	164891763
IUPAC Name	1-ethoxy-3-fluoro-2-methylsulfanylbenzene
Molecular Formula	C9H11FOS
Molecular Weight	186.25
XLogP	2.9
Topological Polar Surface Area	34.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	132

SMILES

CCOC1=C(C(=CC=C1)F)SC

InChI

InChI=1S/C9H11FOS/c1-3-11-8-6-4-5-7(10)9(8)12-2/h4-6H,3H2,1-2H3

InChIKey

HLSOKEFNQKMILX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 862401-43-2

CID: 164891763

Formula: C9H11FOS

MW: 186.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.25
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	186.05146431
Monoisotopic Mass	186.05146431
Topological Polar Surface Area	34.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	132
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
PC1016918-01	(6-Bromo-3-ethoxy-2-fluorophenyl) (methyl) sulfane
PC1017075-01	(2-Bromo-3-ethoxy-6-fluorophenyl) (methyl) sulfane
PC1016932-01	(2-Chloro-3-ethoxy-6-fluorophenyl) (methyl) sulfane
PC1024697-01	(3-Bromo-6-ethoxy-2-fluorophenyl) (methyl) sulfane
PC1017153-01	(6-Chloro-3-ethoxy-2-fluorophenyl) (methyl) sulfane
PC1024705-01	(3-Chloro-6-ethoxy-2-fluorophenyl) (methyl) sulfane
PC1025030-01	(4-Ethoxy-2-fluorophenyl) (methyl) sulfane
PC1025097-01	(3-Ethoxy-2-fluorophenyl) (methyl) sulfane
PC1019642-01	(2-ethoxy-3-fluorophenyl) (methyl) sulfane
PC1025954	(5-Ethoxy-2-fluorophenyl) (methyl) sulfane

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