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Compound Fr13688

CAT: 0013-GTR19269955-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269955-01Size:1 mg
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Description
Compound Fr13688, with CAS No. 13679-75-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13688 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.
CAS Number
13679-75-9
Smiles
CCC (=O) c1cccs1
Molecular Formula
C7H8OS
Molecular Weight
140.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Propionylthiophene

2-Propanoylthiophene is an aromatic ketone.

CAS Number13679-75-9
PubChem CID26179
IUPAC Name1-thiophen-2-ylpropan-1-one
Molecular FormulaC7H8OS
Molecular Weight140.20
XLogP1.7
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity111
SMILES
CCC(=O)C1=CC=CS1
InChI
InChI=1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3
InChIKey
MFPZQZZWAMAHOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Propionylthiophene
CAS: 13679-75-9
CID: 26179
Formula: C7H8OS
MW: 140.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.20
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass140.02958605
Monoisotopic Mass140.02958605
Topological Polar Surface Area45.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity111
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
GTR19269940-01Compound Fr13618
GTR19270153-01Compound Fr16688
GTR19269944Compound Fr13648
GTR19269953-01Compound Fr13683
GTR19269950-01Compound Fr13668
GTR19269976-01Compound Fr13783
GTR19269975-01Compound Fr13780
GTR19269958-01Compound Fr13696
GTR19269947-01Compound Fr13663
GTR19269901-01Compound Fr13281

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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