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Compound Fr12417

CAT: 0013-GTR19269803-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269803-02Size:10 mg
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Description
Compound Fr12417, with CAS No. 52240-00-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12417 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
52240-00-3
Smiles
O=C1CCC (=NN1) C1=CC=CS1
Molecular Formula
C8H8N2OS
Molecular Weight
180.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-thiophen-2-yl-4,5-dihydro-1H-pyridazin-6-one

6-(2-Thienyl)-2,3,4,5-tetrahydropyridazin-3-one is a member of pyridazines.

CAS Number52240-00-3
PubChem CID723696
IUPAC Name3-thiophen-2-yl-4,5-dihydro-1H-pyridazin-6-one
Molecular FormulaC8H8N2OS
Molecular Weight180.23
XLogP0.9
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity227
SMILES
C1CC(=O)NN=C1C2=CC=CS2
InChI
InChI=1S/C8H8N2OS/c11-8-4-3-6(9-10-8)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)
InChIKey
SLIODHPLYGIMCY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-thiophen-2-yl-4,5-dihydro-1H-pyridazin-6-one
CAS: 52240-00-3
CID: 723696
Formula: C8H8N2OS
MW: 180.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.23
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass180.03573406
Monoisotopic Mass180.03573406
Topological Polar Surface Area69.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity227
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
GTR19269812-01Compound Fr12517
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GTR19269801-01Compound Fr12416
GTR19269853-01Compound Fr12887
GTR19269826-01Compound Fr12616
GTR19269806-01Compound Fr12469
GTR19269774-01Compound Fr12176
GTR19269773-01Compound Fr12173
GTR19269764Compound Fr12119
GTR19269843-01Compound Fr12818

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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