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Compound Fr12929

CAT: 0931-Fr12929-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12929-01Size:200 mg
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CAS Number
127406-79-5
Purity
0.9911
Bioactivity
Compound Fr12929, with CAS No. 127406-79-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12929 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
CC1=NC(=CS1)C1=CC=C(C=C1)C#N
Molecular Formula
C11H8N2S
Molecular Weight
200.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile
CAS Number127406-79-5
PubChem CID716353
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)benzonitrile
Molecular FormulaC11H8N2S
Molecular Weight200.26
XLogP2.7
Topological Polar Surface Area64.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity237
SMILES
CC1=NC(=CS1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C11H8N2S/c1-8-13-11(7-14-8)10-4-2-9(6-12)3-5-10/h2-5,7H,1H3
InChIKey
FOKBMJMDQCPNJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Methyl-1,3-thiazol-4-yl)benzonitrile
CAS: 127406-79-5
CID: 716353
Formula: C11H8N2S
MW: 200.26
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.26
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass200.04081944
Monoisotopic Mass200.04081944
Topological Polar Surface Area64.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity237
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
Fr12919-01Compound Fr12919
Fr12928-01Compound Fr12928
Fr12927-01Compound Fr12927
Fr12925-01Compound Fr12925
Fr12299-01Compound Fr12299
Fr12999-01Compound Fr12999
Fr12926-01Compound Fr12926
Fr12921-01Compound Fr12921
Fr12329-01Compound Fr12329
Fr12529-01Compound Fr12529

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

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