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Compound Fr13847

CAT: 0931-Fr13847-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13847-02Size:2 mg
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CAS Number
17514-63-5
Bioactivity
Compound Fr13847, with CAS No. 17514-63-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13847 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
CC1=CSC2=CC=C(F)C=C12
Molecular Formula
C9H7FS
Molecular Weight
166.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Fluoro-3-methyl-benzo[b]thiophene
CAS Number17514-63-5
PubChem CID596828
IUPAC Name5-fluoro-3-methyl-1-benzothiophene
Molecular FormulaC9H7FS
Molecular Weight166.22
XLogP3.4
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity148
SMILES
CC1=CSC2=C1C=C(C=C2)F
InChI
InChI=1S/C9H7FS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3
InChIKey
ARYSXQXKEJNADL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluoro-3-methyl-benzo[b]thiophene
CAS: 17514-63-5
CID: 596828
Formula: C9H7FS
MW: 166.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.22
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass166.02524956
Monoisotopic Mass166.02524956
Topological Polar Surface Area28.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity148
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
Fr13867-01Compound Fr13867
Fr13841-01Compound Fr13841
Fr13840-01Compound Fr13840
Fr13843-01Compound Fr13843
Fr13827-01Compound Fr13827
Fr13047-01Compound Fr13047
Fr13747-01Compound Fr13747
Fr13247-01Compound Fr13247
Fr13849-01Compound Fr13849
Fr13897-01Compound Fr13897

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

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