S-(6-azanyl-2-tert-butylsulfanyl-hexyl) ethanethioate

Systemtic Name: S-(6-azanyl-2-tert-butylsulfanyl-hexyl) ethanethioate Openeye Name: S-(6-amino-2-tert-butylsulfanyl-hexyl) ethanethioate CAS Name: ethanethioic acid S-[6-amino-2-(tert-butylthio)hexyl] ester IUPAC Name: S-(6-amino-2-tert-butylsulfanylhexyl) ethanethioate Traditional Name: ethanethioic acid S-[6-amino-2-(tert-butylthio)hexyl] ester Formula: C12H25NOS2 MolecularWeight: 263.463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCCCN)SC(C)(C)C

Isomeric SMILES

CC(=O)SCC(CCCCN)SC(C)(C)C

InChI

InChI=1S/C12H25NOS2/c1-10(14)15-9-11(7-5-6-8-13)16-12(2,3)4/h11H,5-9,13H2,1-4H3