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Compound Fr16663

CAT: 0013-GTR19270144-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19270144-01Size:50 mg
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Description
Compound Fr16663, with CAS No. 4651-82-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16663 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.
CAS Number
4651-82-5
Smiles
NC1=C (C=CS1) C#N
Molecular Formula
C5H4N2S
Molecular Weight
124.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Aminothiophene-3-carbonitrile
CAS Number4651-82-5
PubChem CID736607
IUPAC Name2-aminothiophene-3-carbonitrile
Molecular FormulaC5H4N2S
Molecular Weight124.17
XLogP1.5
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity126
SMILES
C1=CSC(=C1C#N)N
InChI
InChI=1S/C5H4N2S/c6-3-4-1-2-8-5(4)7/h1-2H,7H2
InChIKey
XVGHZFWFGXDIOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Aminothiophene-3-carbonitrile
CAS: 4651-82-5
CID: 736607
Formula: C5H4N2S
MW: 124.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight124.17
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass124.00951931
Monoisotopic Mass124.00951931
Topological Polar Surface Area78.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity126
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
GTR19270154-01Compound Fr16693
GTR19269947-01Compound Fr13663
GTR19270143-01Compound Fr16661
GTR19270136-01Compound Fr16636
GTR19270149-01Compound Fr16681
GTR19270152-01Compound Fr16687
GTR19270150-01Compound Fr16684
GTR19270145-01Compound Fr16670
GTR19270159-01Compound Fr16743
GTR19270140-01Compound Fr16648

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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