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89805-66-3 | Ethanone, 1-(4-methoxyphenyl)-2-[(2-phenylethyl)thio]-
CAS No: 89805-66-3 Catalog No: AG003YAE MDL No:
Product Description
Catalog Number:
AG003YAE
Chemical Name:
Ethanone, 1-(4-methoxyphenyl)-2-[(2-phenylethyl)thio]-
CAS Number:
89805-66-3
Molecular Formula:
C17H18O2S
Molecular Weight:
286.3886
IUPAC Name:
1-(4-methoxyphenyl)-2-(2-phenylethylsulfanyl)ethanone
InChI:
InChI=1S/C17H18O2S/c1-19-16-9-7-15(8-10-16)17(18)13-20-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3
InChI Key:
MWEZGFZKYFTQCD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CSCCc1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.389g/mol
Monoisotopic Mass:
286.103g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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