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178320-76-8 | 2,4,6-Heptatrien-1-one, 6-methyl-7,7-bis(methylthio)-1-phenyl-, (2E,4E)-
CAS No: 178320-76-8 Catalog No: AG0025XZ MDL No:
Product Description
Catalog Number:
AG0025XZ
Chemical Name:
2,4,6-Heptatrien-1-one, 6-methyl-7,7-bis(methylthio)-1-phenyl-, (2E,4E)-
CAS Number:
178320-76-8
Molecular Formula:
C16H18OS2
Molecular Weight:
290.4435
IUPAC Name:
6-methyl-7,7-bis(methylsulfanyl)-1-phenylhepta-2,4,6-trien-1-one
InChI:
InChI=1S/C16H18OS2/c1-13(16(18-2)19-3)9-7-8-12-15(17)14-10-5-4-6-11-14/h4-12H,1-3H3
InChI Key:
LFSHJKJWSXHEKL-UHFFFAOYSA-N
SMILES:
CSC(=C(/C=C/C=C/C(=O)c1ccccc1)C)SC
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.439g/mol
Monoisotopic Mass:
290.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5
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