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136954-09-1 | 1-Hexanethiol, 6-(undecylsulfonyl)-
CAS No: 136954-09-1 Catalog No: AG0012LU MDL No:
Product Description
Catalog Number:
AG0012LU
Chemical Name:
1-Hexanethiol, 6-(undecylsulfonyl)-
CAS Number:
136954-09-1
Molecular Formula:
C17H36O2S2
Molecular Weight:
336.5965
IUPAC Name:
6-undecylsulfonylhexane-1-thiol
InChI:
InChI=1S/C17H36O2S2/c1-2-3-4-5-6-7-8-10-13-16-21(18,19)17-14-11-9-12-15-20/h20H,2-17H2,1H3
InChI Key:
GUKBGIUHOYWIOF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCS(=O)(=O)CCCCCCS
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.216g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.593g/mol
Monoisotopic Mass:
336.216g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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