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177561-06-7 | Ethanone, 1-(4-methoxyphenyl)-2-[4-(methylthio)phenyl]-
CAS No: 177561-06-7 Catalog No: AG0025DS MDL No:
Product Description
Catalog Number:
AG0025DS
Chemical Name:
Ethanone, 1-(4-methoxyphenyl)-2-[4-(methylthio)phenyl]-
CAS Number:
177561-06-7
Molecular Formula:
C16H16O2S
Molecular Weight:
272.3620
IUPAC Name:
1-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)ethanone
InChI:
InChI=1S/C16H16O2S/c1-18-14-7-5-13(6-8-14)16(17)11-12-3-9-15(19-2)10-4-12/h3-10H,11H2,1-2H3
InChI Key:
XSAAKGVNHZUWSY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Cc1ccc(cc1)SC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.362g/mol
Monoisotopic Mass:
272.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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