2-Fluorobenzyl mercaptan

CAT: 0024-sc-321756ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-321756ASize:5 g

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CAS Number

72364-46-6

Chemical Information

(2-Fluorophenyl)methanethiol

CAS Number	72364-46-6
PubChem CID	522175
IUPAC Name	(2-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	85

SMILES

C1=CC=C(C(=C1)CS)F

InChI

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

InChIKey

UMJTYEUXQGJEIZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72364-46-6

CID: 522175

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	85
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-226651	4-Fluorobenzyl mercaptan
sc-322544A	3-Fluorobenzyl mercaptan
sc-322544	3-Fluorobenzyl mercaptan
sc-322462A	3-Chloro-4-fluorobenzyl mercaptan
sc-322462	3-Chloro-4-fluorobenzyl mercaptan
sc-225238	2-Bromobenzyl mercaptan
sc-321888	2-Trifluoromethylbenzyl mercaptan
sc-321888A	2-Trifluoromethylbenzyl mercaptan
sc-335542	2,5-Difluorobenzyl mercaptan
sc-322098	2,6-Difluorobenzyl mercaptan

Catalog	Name
LKB49829-01	4-Bromo-2-fluorobenzyl mercaptan
PAA09200-01	2-Methylbenzyl mercaptan
264088-01	2-Bromobenzyl mercaptan
FD36233	2,4-Dichlorobenzyl mercaptan
D1039-75	Dansylamidoethyl Mercaptan (2- (5-Dimethylaminonaphth-1-ylsulfonamido) ethyl Mercaptan)
MBS654110-01	Dansylamidoethyl Mercaptan (2-(5-Dimethylaminonaphth-1-ylsulfonamido)ethyl Mercaptan)
TRC-T219520-1G	2,4,6-Trimethylbenzyl mercaptan
TRC-T219520-2.5G	2,4,6-Trimethylbenzyl mercaptan (>90%)
F5254	2-[ (5-Fluoresceinyl) aminocarbonyl]ethyl Mercaptan
AR-M04215-01	Crotyl Mercaptan (2-Butene-1-thiol)