(4-Ethoxy-3-fluorophenyl) (methyl) sulfane

CAT: 0127-PC1011249-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1011249-01Size:250 mg

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CAS Number

1443340-34-8

MDL Number

MFCD22370315

Purity

97%

Smiles

C1 (c (ccc (c1) SC) OCC) F

Chemical Information

4-Ethoxy-3-fluorophenyl methyl sulfide

CAS Number	1443340-34-8
PubChem CID	91658035
IUPAC Name	1-ethoxy-2-fluoro-4-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=C(C=C1)SC)F

InChI

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

InChIKey

FKWQTIQANGROGO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1443340-34-8

CID: 91658035

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
PC1010864	(3-ethoxy-4-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
PC1024686-01	(4-Chloro-3-ethoxy-2-fluorophenyl) (methyl) sulfane
PC1017116-01	(4-bromo-3-ethoxy-2-fluorophenyl) (methyl) sulfane
PC1026545	(3- (Benzyloxy) -4-ethoxy-2-fluorophenyl) (methyl) sulfane
PC1017022-01	(4-Chloro-2-ethoxy-3-fluorophenyl) (methyl) sulfane
PC1017211-01	(3-Chloro-5-ethoxy-4-fluorophenyl) (methyl) sulfane
PC1022088-01	(2-Ethoxy-6-fluorophenyl) (methyl) sulfane

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