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90290-00-9 | 3,5-Tetradecadiene, 1-(methylsulfonyl)-1-(methylthio)-, (Z,E)-
CAS No: 90290-00-9 Catalog No: AG006GNR MDL No:
Product Description
Catalog Number:
AG006GNR
Chemical Name:
3,5-Tetradecadiene, 1-(methylsulfonyl)-1-(methylthio)-, (Z,E)-
CAS Number:
90290-00-9
Molecular Formula:
C16H30O2S2
Molecular Weight:
318.5382
IUPAC Name:
1-methylsulfanyl-1-methylsulfonyltetradeca-3,5-diene
InChI:
InChI=1S/C16H30O2S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(19-2)20(3,17)18/h11-14,16H,4-10,15H2,1-3H3
InChI Key:
NODDDAGDCVCYSA-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C/C=C\CC(S(=O)(=O)C)SC
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.169g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.534g/mol
Monoisotopic Mass:
318.169g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
6.1
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