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29685-23-2 | 2-Propen-1-one, 1,3-diphenyl-2-(phenylthio)-, (E)- (9CI)
CAS No: 29685-23-2 Catalog No: AG002Z40 MDL No:
Product Description
Catalog Number:
AG002Z40
Chemical Name:
2-Propen-1-one, 1,3-diphenyl-2-(phenylthio)-, (E)- (9CI)
CAS Number:
29685-23-2
Molecular Formula:
C21H16OS
Molecular Weight:
316.4161
IUPAC Name:
1,3-diphenyl-2-phenylsulfanylprop-2-en-1-one
InChI:
InChI=1S/C21H16OS/c22-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)23-19-14-8-3-9-15-19/h1-16H
InChI Key:
FEVHHCFGMZREIC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)/C(=C\c1ccccc1)/Sc1ccccc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.092g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.418g/mol
Monoisotopic Mass:
316.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6
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