2-[ (4-Fluorophenyl) thio]acetic acid

CAT: 0926-AAA33251-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-AAA33251-01Size:0.25 g

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CAS Number

332-51-4

MDL Number

MFCD00219825

Smiles

C1=CC (=CC=C1F) SCC (=O) O

Molecular Formula

C8H7FO2S

Molecular Weight

186.2 g/mol

Controlled

Chemical Information

2-[(4-Fluorophenyl)sulfanyl]acetic acid

CAS Number	332-51-4
PubChem CID	736197
IUPAC Name	2-(4-fluorophenyl)sulfanylacetic acid
Molecular Formula	C8H7FO2S
Molecular Weight	186.21
XLogP	2
Topological Polar Surface Area	62.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	155

SMILES

C1=CC(=CC=C1F)SCC(=O)O

InChI

InChI=1S/C8H7FO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

HQEROVXUKINLPI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 332-51-4

CID: 736197

Formula: C8H7FO2S

MW: 186.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.21
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	186.01507880
Monoisotopic Mass	186.01507880
Topological Polar Surface Area	62.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155
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
DAA40677-01	2- ((4-Methoxyphenyl) thio) acetic acid
ZAA43844-01	2-Cyclopropyl-2- (4-fluorophenyl) acetic acid
PCB25466-01	2- (4-Fluorophenyl) -2- (methylamino) acetic acid
LAC79133-01	2- (4-Cyano-2-fluorophenyl) acetic acid
EKC79794-01	2-Fluoro-2- (4-fluorophenyl) acetic acid
TAA61915	[ (2-Methylphenyl) thio]acetic acid
RCA51665	[ (2-Chlorobenzyl) thio]acetic acid
JDC14683-01	2-[ (4-Acetyl-3-fluorophenyl) sulfanyl]acetic acid
FD21852-01	2,2-Difluoro-2- (4-fluorophenyl) acetic acid
TAA61918-01	Acetic acid, 2-[ (2-chlorophenyl) thio]-

Catalog	Name
sc-274848	[ (2-fluorophenyl) thio]acetic acid
sc-353088	{[bis (4-fluorophenyl) methyl]thio}acetic acid
sc-349006	[ (4-acetyl-2-fluorophenyl) thio]acetic acid
PC1003713-01	2- ((Bis (4-fluorophenyl) methyl) thio) acetic acid
sc-340713A	({2-[ (4-fluorophenyl) amino]-2-oxoethyl}thio) acetic acid
sc-277482	[ (4-methoxyphenyl) thio]acetic acid
sc-277523	[ (4-methylbenzyl) thio]acetic acid
sc-277395	[ (4-fluorobenzyl) thio]acetic acid
sc-277372	[ (4-ethoxyphenyl) thio]acetic acid
sc-277297	[ (4-chlorobenzyl) thio]acetic acid