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TZ3O

CAT: 0127-BUP04958-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04958-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2218754-19-7
Purity
=98%
Smiles
O=C1SC(=CC=2C=CC=C(O)C2)C(=O)N1CC(=O)C=3C=CC=CC3

Chemical Information

5-[(3-Hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CAS Number2218754-19-7
PubChem CID172878808
IUPAC Name5-[(3-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
Molecular FormulaC18H13NO4S
Molecular Weight339.4
XLogP3.4
Topological Polar Surface Area100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity553
SMILES
C1=CC=C(C=C1)C(=O)CN2C(=O)C(=CC3=CC(=CC=C3)O)SC2=O
InChI
InChI=1S/C18H13NO4S/c20-14-8-4-5-12(9-14)10-16-17(22)19(18(23)24-16)11-15(21)13-6-2-1-3-7-13/h1-10,20H,11H2
InChIKey
XISJGNSKAXXSAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[(3-Hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CAS: 2218754-19-7
CID: 172878808
Formula: C18H13NO4S
MW: 339.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass339.05652907
Monoisotopic Mass339.05652907
Topological Polar Surface Area100 Ų
Heavy Atom Count24
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19219577-01TZ3O
HY-163646-01(Rac) -TZ3O

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