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Compound Fr13065

CAT: 0931-Fr13065-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13065-02Size:2 mg
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CAS Number
857283-96-6
Bioactivity
Compound Fr13065, with CAS No. 857283-96-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13065 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
Cc1nc(cs1)-c1ccc(CO)cc1
Molecular Formula
C11H11NOS
Molecular Weight
205.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]methanol
CAS Number857283-96-6
PubChem CID7164608
IUPAC Name[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanol
Molecular FormulaC11H11NOS
Molecular Weight205.28
XLogP2.1
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity180
SMILES
CC1=NC(=CS1)C2=CC=C(C=C2)CO
InChI
InChI=1S/C11H11NOS/c1-8-12-11(7-14-8)10-4-2-9(6-13)3-5-10/h2-5,7,13H,6H2,1H3
InChIKey
RJHSPNFHEAFWDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-(2-Methyl-1,3-thiazol-4-yl)phenyl]methanol
CAS: 857283-96-6
CID: 7164608
Formula: C11H11NOS
MW: 205.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.28
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass205.05613515
Monoisotopic Mass205.05613515
Topological Polar Surface Area61.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity180
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
Fr13365-01Compound Fr13365
Fr13067-01Compound Fr13067
Fr13045-01Compound Fr13045
Fr13265-01Compound Fr13265
Fr13005-01Compound Fr13005
Fr13068-01Compound Fr13068
Fr13025-01Compound Fr13025
Fr13765-01Compound Fr13765
Fr13064-01Compound Fr13064
Fr13069-01Compound Fr13069

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-U00358Compound 2
255023-01Compound 401
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
ALX-270-455-M005Compound 15e

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