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706816-62-8 | 1-Propanone, 3-(butylthio)-1-(4-methylphenyl)-3-phenyl-
CAS No: 706816-62-8 Catalog No: AG005GUQ MDL No:
Product Description
Catalog Number:
AG005GUQ
Chemical Name:
1-Propanone, 3-(butylthio)-1-(4-methylphenyl)-3-phenyl-
CAS Number:
706816-62-8
Molecular Formula:
C20H24OS
Molecular Weight:
312.4690
IUPAC Name:
3-butylsulfanyl-1-(4-methylphenyl)-3-phenylpropan-1-one
InChI:
InChI=1S/C20H24OS/c1-3-4-14-22-20(18-8-6-5-7-9-18)15-19(21)17-12-10-16(2)11-13-17/h5-13,20H,3-4,14-15H2,1-2H3
InChI Key:
WTPOPFJIIFCZAD-UHFFFAOYSA-N
SMILES:
CCCCSC(c1ccccc1)CC(=O)c1ccc(cc1)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.155g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.471g/mol
Monoisotopic Mass:
312.155g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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