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154951-43-6 | 4-Thiazolidinone, 2-phenyl-3-(2-pyrimidinyl)-
CAS No: 154951-43-6 Catalog No: AG001NI0 MDL No:
Product Description
Catalog Number:
AG001NI0
Chemical Name:
4-Thiazolidinone, 2-phenyl-3-(2-pyrimidinyl)-
CAS Number:
154951-43-6
Molecular Formula:
C13H11N3OS
Molecular Weight:
257.3109
IUPAC Name:
2-phenyl-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H11N3OS/c17-11-9-18-12(10-5-2-1-3-6-10)16(11)13-14-7-4-8-15-13/h1-8,12H,9H2
InChI Key:
FTWJUYNSIRCMNN-UHFFFAOYSA-N
SMILES:
O=C1CSC(N1c1ncccn1)c1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.311g/mol
Monoisotopic Mass:
257.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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