4-Fluorobenzylthiol

CAT: 0127-PC3721R-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC3721R-01Size:5 g

Selected

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

Quick Request Actions

CAS Number

15894-04-9

Synonyms

4-Fluorobenzyl mercaptan, (4-Fluorophenyl) methanethiol

MDL Number

MFCD00040724

Purity

98%

Smiles

Fc1ccc(CS)cc1

Storage Conditions

Store at 2-8°C

Chemical Information

p-Fluorotoluene-alpha-thiol

CAS Number	15894-04-9
PubChem CID	85171
IUPAC Name	(4-fluorophenyl)methanethiol
Molecular Formula	C7H7FS
Molecular Weight	142.20
XLogP	2.3
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	77

SMILES

C1=CC(=CC=C1CS)F

InChI

InChI=1S/C7H7FS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

InChIKey

RKTRHMNWVZRZJQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15894-04-9

CID: 85171

Formula: C7H7FS

MW: 142.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.20
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	142.02524956
Monoisotopic Mass	142.02524956
Topological Polar Surface Area	1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	77
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
PC1864N-01	2-Chloro-6-fluorobenzylthiol
PC11248	4- (4-Fluorobenzylthio) aniline
PC8344-01	2- (4-Fluorobenzylthio) ethylamine
PC9337-01	2- (4-Fluorobenzythio) -5- (hydroxymethyl) -1-methyl-1H-imidazole
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine

Catalog	Name
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-01	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
JXB85075-01	4,4,4-Trifluorobutanethioamide
433631-01	4,4',4''-Methanetriyltrianiline
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane
sc-262193	4,4,4-Trifluorocrotononitrile
sc-284451A	4,4,4-Trifluorobutylamine
AAA46134	4,4,4-Trifluorobutanamide
FT77427	4,4,4-Trifluorovaline