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Compound Fr13025

CAT: 0931-Fr13025-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13025-03Size:10 mg
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CAS Number
886851-41-8
Bioactivity
Compound Fr13025, with CAS No. 886851-41-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13025 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
CNCc1ccc(nc1)-c1cccs1
Molecular Formula
C11H12N2S
Molecular Weight
204.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

n-Methyl-(6-thien-2-ylpyrid-3-yl)methylamine
CAS Number886851-41-8
PubChem CID24229544
IUPAC NameN-methyl-1-(6-thiophen-2-yl-3-pyridinyl)methanamine
Molecular FormulaC11H12N2S
Molecular Weight204.29
XLogP1.6
Topological Polar Surface Area53.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity175
SMILES
CNCC1=CN=C(C=C1)C2=CC=CS2
InChI
InChI=1S/C11H12N2S/c1-12-7-9-4-5-10(13-8-9)11-3-2-6-14-11/h2-6,8,12H,7H2,1H3
InChIKey
LFZDJRPWILOVEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of n-Methyl-(6-thien-2-ylpyrid-3-yl)methylamine
CAS: 886851-41-8
CID: 24229544
Formula: C11H12N2S
MW: 204.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.29
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass204.07211956
Monoisotopic Mass204.07211956
Topological Polar Surface Area53.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity175
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
Fr13026-01Compound Fr13026
Fr14025-01Compound Fr14025
Fr13045-01Compound Fr13045
Fr13325-01Compound Fr13325
Fr13005-01Compound Fr13005
Fr13023-01Compound Fr13023
Fr13022-01Compound Fr13022
Fr13625-01Compound Fr13625
Fr13020-01Compound Fr13020
Fr13525-01Compound Fr13525

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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