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Compound Fr13482

CAT: 0931-Fr13482-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13482-01Size:100 mg
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CAS Number
503426-87-7
Bioactivity
Compound Fr13482, with CAS No. 503426-87-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13482 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
C(N1CCOCC1)c1csc2ccccc12
Molecular Formula
C13H15NOS
Molecular Weight
233.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(Benzo[b]thiophen-3-ylmethyl)morpholine
CAS Number503426-87-7
PubChem CID737148
IUPAC Name4-(1-benzothiophen-3-ylmethyl)morpholine
Molecular FormulaC13H15NOS
Molecular Weight233.33
XLogP2.4
Topological Polar Surface Area40.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity230
SMILES
C1COCCN1CC2=CSC3=CC=CC=C32
InChI
InChI=1S/C13H15NOS/c1-2-4-13-12(3-1)11(10-16-13)9-14-5-7-15-8-6-14/h1-4,10H,5-9H2
InChIKey
KMLVYAPRKUSISV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Benzo[b]thiophen-3-ylmethyl)morpholine
CAS: 503426-87-7
CID: 737148
Formula: C13H15NOS
MW: 233.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.33
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass233.08743528
Monoisotopic Mass233.08743528
Topological Polar Surface Area40.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity230
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
Fr13682-01Compound Fr13682
Fr13432-01Compound Fr13432
Fr13492-01Compound Fr13492
Fr13462-01Compound Fr13462
Fr13782-01Compound Fr13782
Fr13282-01Compound Fr13282
Fr13484-01Compound Fr13484
Fr13982-01Compound Fr13982
Fr13402-01Compound Fr13402
Fr14382-01Compound Fr14382

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ALX-550-516-M025Compound A
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