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Compound Fr13554

CAT: 0931-Fr13554-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13554-01Size:100 mg
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CAS Number
663884-76-2
Bioactivity
Compound Fr13554, with CAS No. 663884-76-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13554 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
Fc1cccc(F)c1C(=O)N1CCSCC1
Molecular Formula
C11H11F2NOS
Molecular Weight
243.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(2,6-Difluorobenzoyl)thiomorpholine
CAS Number663884-76-2
PubChem CID2804979
IUPAC Name(2,6-difluorophenyl)-thiomorpholin-4-ylmethanone
Molecular FormulaC11H11F2NOS
Molecular Weight243.27
XLogP2
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity248
SMILES
C1CSCCN1C(=O)C2=C(C=CC=C2F)F
InChI
InChI=1S/C11H11F2NOS/c12-8-2-1-3-9(13)10(8)11(15)14-4-6-16-7-5-14/h1-3H,4-7H2
InChIKey
TWWOFABCYQCWRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,6-Difluorobenzoyl)thiomorpholine
CAS: 663884-76-2
CID: 2804979
Formula: C11H11F2NOS
MW: 243.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.27
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass243.05294147
Monoisotopic Mass243.05294147
Topological Polar Surface Area45.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity248
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
Fr13154-01Compound Fr13154
Fr13558-01Compound Fr13558
Fr13557-01Compound Fr13557
Fr13545-01Compound Fr13545
Fr12554-01Compound Fr12554
Fr13594-01Compound Fr13594
Fr13654-01Compound Fr13654
Fr13854-01Compound Fr13854
Fr13553-01Compound Fr13553
Fr13550-01Compound Fr13550

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-14176-01Compound E
255023-01Compound 401
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254
MBS3613444-01Compound W
MBS3613725-01Compound 3344
MBS3613756-01Compound 23

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