3-(phenylmethylsulfanyl)hexane-1,6-diamine dihydrochloride

Systemtic Name: 3-(phenylmethylsulfanyl)hexane-1,6-diamine dihydrochloride Openeye Name: 3-benzylsulfanylhexane-1,6-diamine dihydrochloride CAS Name: 3-(phenylmethylthio)hexane-1,6-diamine dihydrochloride IUPAC Name: 3-benzylsulfanylhexane-1,6-diamine dihydrochloride Traditional Name: [6-amino-3-(benzylthio)hexyl]amine dihydrochloride Formula: C13H24Cl2N2S MolecularWeight: 311.31406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(CCCN)CCN.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC(CCCN)CCN.Cl.Cl

InChI

InChI=1S/C13H22N2S.2ClH/c14-9-4-7-13(8-10-15)16-11-12-5-2-1-3-6-12;;/h1-3,5-6,13H,4,7-11,14-15H2;2*1H