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Compound Fr13580

CAT: 0931-Fr13580-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13580-01Size:100 mg
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CAS Number
68899-44-5
Bioactivity
Compound Fr13580, with CAS No. 68899-44-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13580 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
O=C(N1CCOCC1)c1cc2ccccc2s1
Molecular Formula
C13H13NO2S
Molecular Weight
247.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzo[b]thiophen-2-yl(morpholino)methanone

Benzo[b]thiophen-2-yl(morpholino)methanone is a member of morpholines.

CAS Number68899-44-5
PubChem CID2798285
IUPAC Name1-benzothiophen-2-yl(morpholin-4-yl)methanone
Molecular FormulaC13H13NO2S
Molecular Weight247.31
XLogP2.4
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity291
SMILES
C1COCCN1C(=O)C2=CC3=CC=CC=C3S2
InChI
InChI=1S/C13H13NO2S/c15-13(14-5-7-16-8-6-14)12-9-10-3-1-2-4-11(10)17-12/h1-4,9H,5-8H2
InChIKey
BQBXBCPUICXXRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzo[b]thiophen-2-yl(morpholino)methanone
CAS: 68899-44-5
CID: 2798285
Formula: C13H13NO2S
MW: 247.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.31
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass247.06669983
Monoisotopic Mass247.06669983
Topological Polar Surface Area57.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity291
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
Fr13585-01Compound Fr13585
Fr12580-01Compound Fr12580
Fr13560-01Compound Fr13560
Fr13508-01Compound Fr13508
Fr13380-01Compound Fr13380
Fr13550-01Compound Fr13550
Fr13280-01Compound Fr13280
Fr13680-01Compound Fr13680
Fr13581-01Compound Fr13581
Fr13520-01Compound Fr13520

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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