4-Fluorothiophenol

CAT: 0024-sc-238856Size: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-238856Size:10 g

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CAS Number

371-42-6

Chemical Information

4-Fluorothiophenol

4-Fluorothiophenol is a thiol.

CAS Number	371-42-6
PubChem CID	67789
IUPAC Name	4-fluorobenzenethiol
Molecular Formula	C6H5FS
Molecular Weight	128.17
XLogP	2.3
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	66

SMILES

C1=CC(=CC=C1F)S

InChI

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

InChIKey

OKIHXNKYYGUVTE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 371-42-6

CID: 67789

Formula: C6H5FS

MW: 128.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.17
XLogP3	2.3
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	66.9
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
sc-336350	4-Bromo-2-fluorothiophenol
sc-336361A	4-Bromo-3-fluorothiophenol
sc-336350A	4-Bromo-2-fluorothiophenol
sc-336361	4-Bromo-3-fluorothiophenol
sc-230356	2-Fluorothiophenol
sc-231729	3-Fluorothiophenol
sc-322487	3-Chloro-5-fluorothiophenol
sc-485787	2-Bromo-4-fluorothiophene
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane

Catalog	Name
606003	4‐FLUOROTHIOPHENOL
TRC-F489550-10G	4-Fluorothiophenol
F04620	4-Fluorothiophenol 99%
abx181932-01	3-Chloro-4-fluorothiophenol
PC7991-01	4-Amino-3-fluorothiophenol
PC01514-01	4-Bromo-2-fluorothiophenol
PC1344	4-Fluorothiophenol potassium chloride
C12750	2-Chloro-4-fluorothiophenol
SMB47386	4-Bromo-3-fluorothiophenol
PC01516-01	2-Bromo-4-fluorothiophenol