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6-Fluorothio-4-chromanone

CAT: 0013-GTR19252746-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252746-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
6-Fluorothio-4-chromanone
CAS Number
21243-18-5
Purity
96.22% (May vary between batches)
Smiles
FC1=CC2=C (SCCC2=O) C=C1
Molecular Formula
C9H7FOS
Molecular Weight
182.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Fluoro-2,3-dihydro-4H-1-benzothiopyran-4-one
CAS Number21243-18-5
PubChem CID2737521
IUPAC Name6-fluoro-2,3-dihydrothiochromen-4-one
Molecular FormulaC9H7FOS
Molecular Weight182.22
XLogP2
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity195
SMILES
C1CSC2=C(C1=O)C=C(C=C2)F
InChI
InChI=1S/C9H7FOS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChIKey
NBBGHADNMPMHST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Fluoro-2,3-dihydro-4H-1-benzothiopyran-4-one
CAS: 21243-18-5
CID: 2737521
Formula: C9H7FOS
MW: 182.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.22
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass182.02016418
Monoisotopic Mass182.02016418
Topological Polar Surface Area42.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity195
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

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