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89003-18-9 | 2-Propen-1-one, 3,3-bis(methylthio)-1-phenyl-2-(phenylmethyl)-
CAS No: 89003-18-9 Catalog No: AG0045L7 MDL No:
Product Description
Catalog Number:
AG0045L7
Chemical Name:
2-Propen-1-one, 3,3-bis(methylthio)-1-phenyl-2-(phenylmethyl)-
CAS Number:
89003-18-9
Molecular Formula:
C18H18OS2
Molecular Weight:
314.4649
IUPAC Name:
2-benzyl-3,3-bis(methylsulfanyl)-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C18H18OS2/c1-20-18(21-2)16(13-14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChI Key:
KLHUMEDIVNSHBY-UHFFFAOYSA-N
SMILES:
CSC(=C(C(=O)c1ccccc1)Cc1ccccc1)SC
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.461g/mol
Monoisotopic Mass:
314.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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