Products for Research Use Only
RegisterLogin

Compound Fr12552

CAT: 0931-Fr12552-02Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-Fr12552-02Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
332-51-4
Purity
0.9968
Bioactivity
Compound Fr12552, with CAS No. 332-51-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12552 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
OC(=O)CSc1ccc(F)cc1
Molecular Formula
C8H7FO2S
Molecular Weight
186.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(4-Fluorophenyl)sulfanyl]acetic acid
CAS Number332-51-4
PubChem CID736197
IUPAC Name2-(4-fluorophenyl)sulfanylacetic acid
Molecular FormulaC8H7FO2S
Molecular Weight186.21
XLogP2
Topological Polar Surface Area62.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity155
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
2D structure of 2-[(4-Fluorophenyl)sulfanyl]acetic acid
CAS: 332-51-4
CID: 736197
Formula: C8H7FO2S
MW: 186.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.21
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass186.01507880
Monoisotopic Mass186.01507880
Topological Polar Surface Area62.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr12558-01Compound Fr12558
Fr12952-01Compound Fr12952
Fr12554-01Compound Fr12554
Fr12452-01Compound Fr12452
Fr12522-01Compound Fr12522
Fr12559-01Compound Fr12559
Fr12525-01Compound Fr12525
Fr12652-01Compound Fr12652
Fr12582-01Compound Fr12582
Fr12550-01Compound Fr12550

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

Popular Products