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87780-42-5 | 4-Thiazolidinone, 3-(1-oxido-2-pyridinyl)-2-phenyl-
CAS No: 87780-42-5 Catalog No: AG004KYO MDL No:
Product Description
Catalog Number:
AG004KYO
Chemical Name:
4-Thiazolidinone, 3-(1-oxido-2-pyridinyl)-2-phenyl-
CAS Number:
87780-42-5
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
IUPAC Name:
3-(1-oxidopyridin-1-ium-2-yl)-2-phenyl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H12N2O2S/c17-13-10-19-14(11-6-2-1-3-7-11)16(13)12-8-4-5-9-15(12)18/h1-9,14H,10H2
InChI Key:
WBYXCEBXEYVQRX-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccccc1N1C(=O)CSC1c1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.322g/mol
Monoisotopic Mass:
272.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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