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145693-89-6 | 4-Imidazolidinone, 3-phenyl-5-(2-pyridinylmethylene)-2-thioxo-, (5Z)-
CAS No: 145693-89-6 Catalog No: AG001DAY MDL No:
Product Description
Catalog Number:
AG001DAY
Chemical Name:
4-Imidazolidinone, 3-phenyl-5-(2-pyridinylmethylene)-2-thioxo-, (5Z)-
CAS Number:
145693-89-6
Molecular Formula:
C15H11N3OS
Molecular Weight:
281.3323
IUPAC Name:
3-phenyl-5-(pyridin-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C15H11N3OS/c19-14-13(10-11-6-4-5-9-16-11)17-15(20)18(14)12-7-2-1-3-8-12/h1-10H,(H,17,20)
InChI Key:
KTXQXTKOZNQPKN-UHFFFAOYSA-N
SMILES:
S=C1N/C(=C\c2ccccn2)/C(=O)N1c1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.333g/mol
Monoisotopic Mass:
281.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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