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89647-15-4 | Benzene, 1-[[2-(dodecylthio)-2-methylpropyl]sulfonyl]-4-methyl-
CAS No: 89647-15-4 Catalog No: AG003VHJ MDL No:
Product Description
Catalog Number:
AG003VHJ
Chemical Name:
Benzene, 1-[[2-(dodecylthio)-2-methylpropyl]sulfonyl]-4-methyl-
CAS Number:
89647-15-4
Molecular Formula:
C23H40O2S2
Molecular Weight:
412.6925
IUPAC Name:
1-(2-dodecylsulfanyl-2-methylpropyl)sulfonyl-4-methylbenzene
InChI:
InChI=1S/C23H40O2S2/c1-5-6-7-8-9-10-11-12-13-14-19-26-23(3,4)20-27(24,25)22-17-15-21(2)16-18-22/h15-18H,5-14,19-20H2,1-4H3
InChI Key:
GBDCVCPMDZUPBL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSC(CS(=O)(=O)c1ccc(cc1)C)(C)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.247g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.691g/mol
Monoisotopic Mass:
412.247g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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