2-Fluorothiophenol

CAT: 0127-PC4298-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC4298-01Size:5 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2557-78-0

Synonyms

2-Fluorobenzenethiol, 2-Fluorophenyl mercaptan

MDL Number

MFCD00041419

Purity

98%

Smiles

Fc1ccccc1S

Storage Conditions

Store at 2-8°C

Chemical Information

2-Fluorothiophenol

CAS Number	2557-78-0
PubChem CID	520216
IUPAC Name	2-fluorobenzenethiol
Molecular Formula	C6H5FS
Molecular Weight	128.17
XLogP	2.2
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	74

SMILES

C1=CC=C(C(=C1)F)S

InChI

InChI=1S/C6H5FS/c7-5-3-1-2-4-6(5)8/h1-4,8H

InChIKey

WJTZZPVVTSDNJJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2557-78-0

CID: 520216

Formula: C6H5FS

MW: 128.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.17
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	128.00959950
Monoisotopic Mass	128.00959950
Topological Polar Surface Area	1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.9
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
PC01516-01	2-Bromo-4-fluorothiophenol
PC01518	2-Bromo-6-fluorothiophenol
PC56075-01	2-Bromo-5-fluorothiophenol
PC1889-01	2-Chloro-4-fluorothiophenol
PC4299-01	3-Fluorothiophenol
PC4300-01	4-Fluorothiophenol
PC500255	2-Amino-5-bromo-4-fluorothiophenol
PC400003	2-Amino-4-bromo-5-fluorothiophenol
PC7991-01	4-Amino-3-fluorothiophenol
PC5308-01	3-Chloro-5-fluorothiophenol