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121242-80-6 | 5(4H)-Oxazolone, 2-phenyl-4-[[(phenylmethyl)thio]methylene]-
CAS No: 121242-80-6 Catalog No: AG0080M9 MDL No:
Product Description
Catalog Number:
AG0080M9
Chemical Name:
5(4H)-Oxazolone, 2-phenyl-4-[[(phenylmethyl)thio]methylene]-
CAS Number:
121242-80-6
Molecular Formula:
C17H13NO2S
Molecular Weight:
295.3556
IUPAC Name:
4-(benzylsulfanylmethylidene)-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C17H13NO2S/c19-17-15(12-21-11-13-7-3-1-4-8-13)18-16(20-17)14-9-5-2-6-10-14/h1-10,12H,11H2
InChI Key:
VNNBOBGFTGUJST-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=CSCc1ccccc1)c1ccccc1
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.356g/mol
Monoisotopic Mass:
295.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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