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16446-30-3 | 5(4H)-Thiazolone, 2-phenyl-4-(phenylmethylene)-
CAS No: 16446-30-3 Catalog No: AG001UWJ MDL No:
Product Description
Catalog Number:
AG001UWJ
Chemical Name:
5(4H)-Thiazolone, 2-phenyl-4-(phenylmethylene)-
CAS Number:
16446-30-3
Molecular Formula:
C16H11NOS
Molecular Weight:
265.3296
IUPAC Name:
(4Z)-4-benzylidene-2-phenyl-1,3-thiazol-5-one
InChI:
InChI=1S/C16H11NOS/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1-11H/b14-11-
InChI Key:
QAVDULXNCMMIPW-KAMYIIQDSA-N
SMILES:
O=C1SC(=NC1=Cc1ccccc1)c1ccccc1
NSC Number:
126786
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
265.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.33g/mol
Monoisotopic Mass:
265.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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