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Compound Fr13445

CAT: 0931-Fr13445-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13445-02Size:2 mg
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CAS Number
671754-28-2
Bioactivity
Compound Fr13445, with CAS No. 671754-28-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13445 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(COc2ccc(cc2)C#N)cs1
Molecular Formula
C12H10N2OS
Molecular Weight
230.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[(2-Methyl-1,3-thiazol-4-yl)methoxy]benzonitrile

4-[(2-Methyl-1,3-thiazol-4-yl)methoxy]benzonitrile is an aromatic ether.

CAS Number671754-28-2
PubChem CID2806222
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
Molecular FormulaC12H10N2OS
Molecular Weight230.29
XLogP2.6
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity267
SMILES
CC1=NC(=CS1)COC2=CC=C(C=C2)C#N
InChI
InChI=1S/C12H10N2OS/c1-9-14-11(8-16-9)7-15-12-4-2-10(6-13)3-5-12/h2-5,8H,7H2,1H3
InChIKey
TZZWRROOAZYIBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[(2-Methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
CAS: 671754-28-2
CID: 2806222
Formula: C12H10N2OS
MW: 230.29
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight230.29
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass230.05138412
Monoisotopic Mass230.05138412
Topological Polar Surface Area74.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity267
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
Fr14345-01Compound Fr14345
Fr13045-01Compound Fr13045
Fr13405-01Compound Fr13405
Fr13545-01Compound Fr13545
Fr13455-01Compound Fr13455
Fr13415-01Compound Fr13415
Fr13435-01Compound Fr13435
Fr13425-01Compound Fr13425
Fr13345-01Compound Fr13345
Fr13145-01Compound Fr13145

Alternative Products

CatalogName
ALX-550-516-M025Compound A
C8444-50Compound C108
C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
HY-14176-01Compound E
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254

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