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1000932-15-9 | 2-[2-oxo-2-(pyridin-4-yl)ethylidene]-1,3-thiazolidin-4-one
CAS No: 1000932-15-9 Catalog No: AG019L8Y MDL No:MFCD09863352
Product Description
Catalog Number:
AG019L8Y
Chemical Name:
2-[2-oxo-2-(pyridin-4-yl)ethylidene]-1,3-thiazolidin-4-one
CAS Number:
1000932-15-9
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
MDL Number:
MFCD09863352
IUPAC Name:
2-(2-oxo-2-pyridin-4-ylethylidene)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H8N2O2S/c13-8(7-1-3-11-4-2-7)5-10-12-9(14)6-15-10/h1-5H,6H2,(H,12,14)
InChI Key:
LULWZDNJZMUUQD-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)C=C1SCC(=O)N1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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