(2-Bromoethyl) (4-fluorophenyl) sulfane

CAT: 0127-PC1007585-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1007585-01Size:100 mg

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CAS Number

339363-85-8

MDL Number

MFCD09944899

Purity

95%

Smiles

FC1=CC=C(SCCBr)C=C1

Chemical Information

1-[(2-Bromoethyl)sulfanyl]-4-fluorobenzene

CAS Number	339363-85-8
PubChem CID	12261864
IUPAC Name	1-(2-bromoethylsulfanyl)-4-fluorobenzene
Molecular Formula	C8H8BrFS
Molecular Weight	235.12
XLogP	3.3
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	102

SMILES

C1=CC(=CC=C1F)SCCBr

InChI

InChI=1S/C8H8BrFS/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2

InChIKey

JQLPZBNYQCHXSI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 339363-85-8

CID: 12261864

Formula: C8H8BrFS

MW: 235.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.12
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	233.95141
Monoisotopic Mass	233.95141
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	102
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
OR1069511-01	(2-Bromoethyl) (methyl) sulfane
OR1049182-01	(2-Bromoethyl) (trityl) sulfane
PC1025423	(2-bromobenzyl) (4-fluorophenyl) sulfane
PC1012415-01	Butyl (4-fluorophenyl) sulfane
PC1021824	(4-fluorophenyl) (propyl) sulfane
PC1022663-01	Ethyl (4-fluorophenyl) sulfane
PC1024218	(4-Chloro-2-fluorophenyl) (methyl) sulfane
PC1021092-01	(2-chloro-4-fluorophenyl) (ethyl) sulfane
PC1020923-01	(2-ethoxy-4-fluorophenyl) (isopropyl) sulfane
PC1025030-01	(4-Ethoxy-2-fluorophenyl) (methyl) sulfane

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