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Compound Fr14360

CAT: 0931-Fr14360-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr14360-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6310-09-4
Purity
>99.99%
Bioactivity
Compound Fr14360, with CAS No. 6310-09-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14360 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
CC(=O)C1=CC=C(Cl)S1
Molecular Formula
C6H5ClOS
Molecular Weight
160.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Acetyl-5-chlorothiophene
CAS Number6310-09-4
PubChem CID80572
IUPAC Name1-(5-chlorothiophen-2-yl)ethanone
Molecular FormulaC6H5ClOS
Molecular Weight160.62
XLogP2.6
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity126
SMILES
CC(=O)C1=CC=C(S1)Cl
InChI
InChI=1S/C6H5ClOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3
InChIKey
HTZGPEHWQCRXGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetyl-5-chlorothiophene
CAS: 6310-09-4
CID: 80572
Formula: C6H5ClOS
MW: 160.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.62
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass159.9749636
Monoisotopic Mass159.9749636
Topological Polar Surface Area45.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity126
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
Fr14361-01Compound Fr14361
Fr14390-01Compound Fr14390
Fr14365-01Compound Fr14365
Fr14340-01Compound Fr14340
Fr14367-01Compound Fr14367
Fr14306-01Compound Fr14306
Fr13460-01Compound Fr13460
Fr14310-01Compound Fr14310
Fr14369-01Compound Fr14369
Fr14330-01Compound Fr14330

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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