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163445-43-0 | Methanone, (2-mercapto-5-methoxyphenyl)phenyl-
CAS No: 163445-43-0 Catalog No: AG001U47 MDL No:
Product Description
Catalog Number:
AG001U47
Chemical Name:
Methanone, (2-mercapto-5-methoxyphenyl)phenyl-
CAS Number:
163445-43-0
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
IUPAC Name:
(5-methoxy-2-sulfanylphenyl)-phenylmethanone
InChI:
InChI=1S/C14H12O2S/c1-16-11-7-8-13(17)12(9-11)14(15)10-5-3-2-4-6-10/h2-9,17H,1H3
InChI Key:
GUJIEECSCPXZRG-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)c1ccccc1)S
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.308g/mol
Monoisotopic Mass:
244.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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