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143886-46-8 | Ethanone, 1,2-bis[4-(methylthio)phenyl]-
CAS No: 143886-46-8 Catalog No: AG001IKB MDL No:
Product Description
Catalog Number:
AG001IKB
Chemical Name:
Ethanone, 1,2-bis[4-(methylthio)phenyl]-
CAS Number:
143886-46-8
Molecular Formula:
C16H16OS2
Molecular Weight:
288.4276
IUPAC Name:
1,2-bis(4-methylsulfanylphenyl)ethanone
InChI:
InChI=1S/C16H16OS2/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3
InChI Key:
VLZCPIMQXZSCOF-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)CC(=O)c1ccc(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:
288.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.423g/mol
Monoisotopic Mass:
288.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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