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116145-44-9 | 4-Penten-1-one, 2-[bis(methylthio)methylene]-4-methyl-1-phenyl-
CAS No: 116145-44-9 Catalog No: AG000BQV MDL No:
Product Description
Catalog Number:
AG000BQV
Chemical Name:
4-Penten-1-one, 2-[bis(methylthio)methylene]-4-methyl-1-phenyl-
CAS Number:
116145-44-9
Molecular Formula:
C15H18OS2
Molecular Weight:
278.4328
IUPAC Name:
2-[bis(methylsulfanyl)methylidene]-4-methyl-1-phenylpent-4-en-1-one
InChI:
InChI=1S/C15H18OS2/c1-11(2)10-13(15(17-3)18-4)14(16)12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3
InChI Key:
ZAONJHYNJVGAMJ-UHFFFAOYSA-N
SMILES:
CSC(=C(C(=O)c1ccccc1)CC(=C)C)SC
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.428g/mol
Monoisotopic Mass:
278.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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