CAS
92944-71-3 Purity
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92944-71-3 Purity
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The molecular formula is C19H41NO3S2.
The molecular weight is 395.7 g/mol.
The IUPAC name is 1-(2-sulfosulfanylethylamino)heptadecane.
The InChI is InChI=1S/C19H41NO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-24-25(21,22)23/h20H,2-19H2,1H3,(H,21,22,23).
The InChIKey is NOAOISNWUKHGKB-UHFFFAOYSA-N.
The canonical SMILES is CCCCCCCCCCCCCCCCCNCCSS(=O)(=O)O.
The CAS number is 929-46-4.
The XLogP3-AA value is 5.1.
Yes, it is a canonicalized compound.