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Compound Fr12447

CAT: 0931-Fr12447-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12447-02Size:2 mg
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CAS Number
423769-75-9
Bioactivity
Compound Fr12447, with CAS No. 423769-75-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12447 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)C2=C1SC(CO)=C2
Molecular Formula
C8H10N2OS
Molecular Weight
182.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1,3-Dimethyl-1H-thieno[2,3-c]pyrazol-5-yl)methanol
CAS Number423769-75-9
PubChem CID2776543
IUPAC Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanol
Molecular FormulaC8H10N2OS
Molecular Weight182.25
XLogP1.1
Topological Polar Surface Area66.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity178
SMILES
CC1=NN(C2=C1C=C(S2)CO)C
InChI
InChI=1S/C8H10N2OS/c1-5-7-3-6(4-11)12-8(7)10(2)9-5/h3,11H,4H2,1-2H3
InChIKey
RRJNXBJUHRCXDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1,3-Dimethyl-1H-thieno[2,3-c]pyrazol-5-yl)methanol
CAS: 423769-75-9
CID: 2776543
Formula: C8H10N2OS
MW: 182.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.25
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass182.05138412
Monoisotopic Mass182.05138412
Topological Polar Surface Area66.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity178
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
Fr12474-01Compound Fr12474
Fr12747-01Compound Fr12747
Fr14247-01Compound Fr14247
Fr12547-01Compound Fr12547
Fr12477-01Compound Fr12477
Fr12647-01Compound Fr12647
Fr12407-01Compound Fr12407
Fr12448-01Compound Fr12448
Fr12427-01Compound Fr12427
Fr12446-01Compound Fr12446

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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