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159280-43-0 | Benzene, [[(S)-octylsulfinyl]methyl]-
CAS No: 159280-43-0 Catalog No: AG001QL5 MDL No:
Product Description
Catalog Number:
AG001QL5
Chemical Name:
Benzene, [[(S)-octylsulfinyl]methyl]-
CAS Number:
159280-43-0
Molecular Formula:
C15H24OS
Molecular Weight:
252.4155
IUPAC Name:
[(S)-octylsulfinyl]methylbenzene
InChI:
InChI=1S/C15H24OS/c1-2-3-4-5-6-10-13-17(16)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3/t17-/m0/s1
InChI Key:
BYVSLWXPANHRRT-KRWDZBQOSA-N
SMILES:
CCCCCCCC[S@](=O)Cc1ccccc1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
252.155g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.416g/mol
Monoisotopic Mass:
252.155g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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