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5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione

5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione

CAS: 477710-84-2

Formula: C13H9N3O2S

SMILES: O=C1NC(=O)C(S1)=CC1=CNN=C1C1=CC=CC=C1

IUPAC: 5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione

InChI: InChI=1S/C13H9N3O2S/c17-12-10(19-13(18)15-12)6-9-7-14-16-11(9)8-4-2-1-3-5-8/h1-7H,(H,14,16)(H,15,17,18)

Composition: C (57.55%), H (3.34%), N (15.49%), O (11.79%), S (11.82%)

Molar Mass: 271.29

Atom Count: 28

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 271.041547716
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ZPVPFXUXYHYJKD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.67
Topological Polar Surface Area 74.85
Polarizability 28.88
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477710-84-2 $51.35-$86.31$51.35$63.37$86.31
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