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Compound FL0106

CAT: 0931-FL0106-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0106-02Size:2 mg
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CAS Number
1169491-14-8
Bioactivity
Compound FL0106, with CAS No. 1169491-14-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0106 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
OC(=O)c1csc2COCCc12
Molecular Formula
C8H8O3S
Molecular Weight
184.212
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4H,5H,7H-thieno(2,3-c)pyran-3-carboxylic acid
CAS Number1169491-14-8
PubChem CID21936702
IUPAC Name5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
Molecular FormulaC8H8O3S
Molecular Weight184.21
XLogP0.8
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity195
SMILES
C1COCC2=C1C(=CS2)C(=O)O
InChI
InChI=1S/C8H8O3S/c9-8(10)6-4-12-7-3-11-2-1-5(6)7/h4H,1-3H2,(H,9,10)
InChIKey
OPMGBYIAUZTFHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4H,5H,7H-thieno(2,3-c)pyran-3-carboxylic acid
CAS: 1169491-14-8
CID: 21936702
Formula: C8H8O3S
MW: 184.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.21
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass184.01941529
Monoisotopic Mass184.01941529
Topological Polar Surface Area74.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity195
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
FL0156-01Compound FL0156
FL0101-01Compound FL0101
FL0146-01Compound FL0146
FL0107-01Compound FL0107
FL0105-01Compound FL0105
FL0006-01Compound FL0006
FL0166-01Compound FL0166
FL0108-01Compound FL0108
FL0100-01Compound FL0100
FL0185-01Compound FL0185

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