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22956-36-1 | 1-Propanone, 1-phenyl-3-(phenylthio)-
CAS No: 22956-36-1 Catalog No: AG002LNY MDL No:
Product Description
Catalog Number:
AG002LNY
Chemical Name:
1-Propanone, 1-phenyl-3-(phenylthio)-
CAS Number:
22956-36-1
Molecular Formula:
C15H14OS
Molecular Weight:
242.3361
IUPAC Name:
1-phenyl-3-phenylsulfanylpropan-1-one
InChI:
InChI=1S/C15H14OS/c16-15(13-7-3-1-4-8-13)11-12-17-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:
QZKLFDOVQDWYLH-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCSc1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.336g/mol
Monoisotopic Mass:
242.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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