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Compound Fr16680

CAT: 0931-Fr16680-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr16680-02Size:2 mg
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CAS Number
53515-34-7
Bioactivity
Compound Fr16680, with CAS No. 53515-34-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16680 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
N#CCN1CCSCC1
Molecular Formula
C6H10N2S
Molecular Weight
142.222
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(Thiomorpholin-4-yl)acetonitrile
CAS Number53515-34-7
PubChem CID2776978
IUPAC Name2-thiomorpholin-4-ylacetonitrile
Molecular FormulaC6H10N2S
Molecular Weight142.22
XLogP0.5
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity120
SMILES
C1CSCCN1CC#N
InChI
InChI=1S/C6H10N2S/c7-1-2-8-3-5-9-6-4-8/h2-6H2
InChIKey
GRFZMNDHVADAFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Thiomorpholin-4-yl)acetonitrile
CAS: 53515-34-7
CID: 2776978
Formula: C6H10N2S
MW: 142.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.22
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass142.05646950
Monoisotopic Mass142.05646950
Topological Polar Surface Area52.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity120
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
Fr16630-01Compound Fr16630
Fr16690-01Compound Fr16690
Fr16660-01Compound Fr16660
Fr16620-01Compound Fr16620
Fr13680-01Compound Fr13680
Fr16610-01Compound Fr16610
Fr16689-01Compound Fr16689
Fr16685-01Compound Fr16685
Fr12780-01Compound Fr12780

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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