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Compound Fr13817

CAT: 0013-GTR19269983-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269983-02Size:50 mg
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Description
Compound Fr13817, with CAS No. 17821-75-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13817 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.
CAS Number
17821-75-9
Purity
>99.99% (May vary between batches)
Smiles
FC1=CC2=NSN=C2C=C1
Molecular Formula
C6H3FN2S
Molecular Weight
154.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Fluorobenzo-2,1,3-thiadiazole
CAS Number17821-75-9
PubChem CID2737263
IUPAC Name5-fluoro-2,1,3-benzothiadiazole
Molecular FormulaC6H3FN2S
Molecular Weight154.17
XLogP1.9
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity133
SMILES
C1=CC2=NSN=C2C=C1F
InChI
InChI=1S/C6H3FN2S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H
InChIKey
LNZHAYNBUMVVBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluorobenzo-2,1,3-thiadiazole
CAS: 17821-75-9
CID: 2737263
Formula: C6H3FN2S
MW: 154.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.17
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass154.00009744
Monoisotopic Mass154.00009744
Topological Polar Surface Area54 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
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

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GTR19269894-01Compound Fr13218
GTR19269887-01Compound Fr13184
GTR19269872-01Compound Fr13057
GTR19269870-01Compound Fr13037

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