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Compound Fr12682

CAT: 0931-Fr12682-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12682-02Size:2 mg
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CAS Number
837376-47-3
Bioactivity
Compound Fr12682, with CAS No. 837376-47-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12682 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
NCc1ccc(s1)-c1cccnc1
Molecular Formula
C10H10N2S
Molecular Weight
190.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(5-Pyrid-3-ylthien-2-YL)methylamine
CAS Number837376-47-3
PubChem CID11206290
IUPAC Name(5-pyridin-3-ylthiophen-2-yl)methanamine
Molecular FormulaC10H10N2S
Molecular Weight190.27
XLogP1.1
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity163
SMILES
C1=CC(=CN=C1)C2=CC=C(S2)CN
InChI
InChI=1S/C10H10N2S/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2
InChIKey
JHLIGYPHPBLDDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (5-Pyrid-3-ylthien-2-YL)methylamine
CAS: 837376-47-3
CID: 11206290
Formula: C10H10N2S
MW: 190.27
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.27
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass190.05646950
Monoisotopic Mass190.05646950
Topological Polar Surface Area67.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity163
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
Fr16682-01Compound Fr16682
Fr13682-01Compound Fr13682
Fr12612-01Compound Fr12612
Fr12688-01Compound Fr12688
Fr12282-01Compound Fr12282
Fr12685-01Compound Fr12685
Fr12652-01Compound Fr12652
Fr12582-01Compound Fr12582
Fr12982-01Compound Fr12982
Fr12602-01Compound Fr12602

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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