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

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CAS Number

1378798-24-3

MDL Number

MFCD18375531

Purity

95%

Smiles

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

Chemical Information

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

CAS Number	1378798-24-3
PubChem CID	91655644
IUPAC Name	2-ethoxy-1-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=CC(=C1)SC)F

InChI

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

InChIKey

ZFWMQSSUMKZDGM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1378798-24-3

CID: 91655644

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

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