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Compound Fr12802

CAT: 0931-Fr12802-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12802-01Size:100 mg
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CAS Number
879896-49-8
Bioactivity
Compound Fr12802, with CAS No. 879896-49-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12802 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
CN1N=C(C=C1CO)C1=CC=CS1
Molecular Formula
C9H10N2OS
Molecular Weight
194.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanol
CAS Number879896-49-8
PubChem CID18525810
IUPAC Name(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanol
Molecular FormulaC9H10N2OS
Molecular Weight194.26
XLogP0.8
Topological Polar Surface Area66.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity179
SMILES
CN1C(=CC(=N1)C2=CC=CS2)CO
InChI
InChI=1S/C9H10N2OS/c1-11-7(6-12)5-8(10-11)9-3-2-4-13-9/h2-5,12H,6H2,1H3
InChIKey
CHKYTDUITSTBNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanol
CAS: 879896-49-8
CID: 18525810
Formula: C9H10N2OS
MW: 194.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.26
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass194.05138412
Monoisotopic Mass194.05138412
Topological Polar Surface Area66.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity179
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
Fr12803-01Compound Fr12803
Fr12842-01Compound Fr12842
Fr12804-01Compound Fr12804
Fr12822-01Compound Fr12822
Fr12902-01Compound Fr12902
Fr12702-01Compound Fr12702
Fr12806-01Compound Fr12806
Fr12302-01Compound Fr12302
Fr13802-01Compound Fr13802
Fr12832-01Compound Fr12832

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HY-14176-01Compound E
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