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14679-98-2 | 1-Propanone, 2-(methylthio)-1,3-diphenyl-
CAS No: 14679-98-2 Catalog No: AG001EBX MDL No:
Product Description
Catalog Number:
AG001EBX
Chemical Name:
1-Propanone, 2-(methylthio)-1,3-diphenyl-
CAS Number:
14679-98-2
Molecular Formula:
C16H16OS
Molecular Weight:
256.3626
IUPAC Name:
2-methylsulfanyl-1,3-diphenylpropan-1-one
InChI:
InChI=1S/C16H16OS/c1-18-15(12-13-8-4-2-5-9-13)16(17)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChI Key:
NAYDIWTVZJELDZ-UHFFFAOYSA-N
SMILES:
CSC(C(=O)c1ccccc1)Cc1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.363g/mol
Monoisotopic Mass:
256.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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