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Compound Fr16754

CAT: 0931-Fr16754-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr16754-02Size:2 mg
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CAS Number
5381-24-8
Bioactivity
Compound Fr16754, with CAS No. 5381-24-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16754 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
OCC1=CSC2=CC=CC=C12
Molecular Formula
C9H8OS
Molecular Weight
164.224
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Benzothiophen-3-ylmethanol

1-Benzothiophen-3-ylmethanol is a member of 1-benzothiophenes.

CAS Number5381-24-8
PubChem CID2776342
IUPAC Name1-benzothiophen-3-ylmethanol
Molecular FormulaC9H8OS
Molecular Weight164.23
XLogP2.1
Topological Polar Surface Area48.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
C1=CC=C2C(=C1)C(=CS2)CO
InChI
InChI=1S/C9H8OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10H,5H2
InChIKey
UYGMKSKKGSUAHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzothiophen-3-ylmethanol
CAS: 5381-24-8
CID: 2776342
Formula: C9H8OS
MW: 164.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.23
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass164.02958605
Monoisotopic Mass164.02958605
Topological Polar Surface Area48.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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
Fr16756-01Compound Fr16756
Fr16704-01Compound Fr16704
Fr16752-01Compound Fr16752
Fr16734-01Compound Fr16734
Fr16753-01Compound Fr16753
Fr16714-01Compound Fr16714
Fr16757-01Compound Fr16757
Fr16751-01Compound Fr16751
Fr16654-01Compound Fr16654
Fr16755-01Compound Fr16755

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HY-U00358Compound 2
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HY-14176-01Compound E
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1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
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