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Compound Fr12860

CAT: 0013-GTR19269848-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269848-02Size:5 mg
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Description
Compound Fr12860, with CAS No. 663884-79-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12860 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
663884-79-5
Smiles
O=C (N1CCSCC1) c1ccco1
Molecular Formula
C9H11NO2S
Molecular Weight
197.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Furan-2-yl(thiomorpholin-4-yl)methanone
CAS Number663884-79-5
PubChem CID2804982
IUPAC Namefuran-2-yl(thiomorpholin-4-yl)methanone
Molecular FormulaC9H11NO2S
Molecular Weight197.26
XLogP1.2
Topological Polar Surface Area58.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity192
SMILES
C1CSCCN1C(=O)C2=CC=CO2
InChI
InChI=1S/C9H11NO2S/c11-9(8-2-1-5-12-8)10-3-6-13-7-4-10/h1-2,5H,3-4,6-7H2
InChIKey
NLZGZUVTOHQCQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Furan-2-yl(thiomorpholin-4-yl)methanone
CAS: 663884-79-5
CID: 2804982
Formula: C9H11NO2S
MW: 197.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.26
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass197.05104977
Monoisotopic Mass197.05104977
Topological Polar Surface Area58.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity192
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
GTR19269829-01Compound Fr12680
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GTR19269853-01Compound Fr12887
GTR19269851-01Compound Fr12881
GTR19269808-01Compound Fr12500
GTR19269806-01Compound Fr12469
GTR19269778-01Compound Fr12220
GTR19269845-01Compound Fr12847
GTR19269843-01Compound Fr12818

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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