N'-(3-methoxypropyl)-2-sulfanyl-ethanimidamide; sulfurothioic O-acid; hydrate

Systemtic Name: N'-(3-methoxypropyl)-2-sulfanyl-ethanimidamide; sulfurothioic O-acid; hydrate Openeye Name: N'-(3-methoxypropyl)-2-sulfanyl-acetamidine; sulfurothioic O-acid; hydrate CAS Name: 2-mercapto-N'-(3-methoxypropyl)ethanimidamide; sulfurothioic O-acid; hydrate IUPAC Name: N'-(3-methoxypropyl)-2-sulfanylethanimidamide; sulfurothioic O-acid; hydrate Traditional Name: 2-mercapto-N'-(3-methoxypropyl)acetamidine; sulfurothioic O-acid; hydrate Formula: C6H18N2O5S3 MolecularWeight: 294.41252

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN=C(CS)N.O.OS(=O)(=S)O

Isomeric SMILES

COCCCN=C(CS)N.O.OS(=O)(=S)O

InChI

InChI=1S/C6H14N2OS.H2O3S2.H2O/c1-9-4-2-3-8-6(7)5-10;1-5(2,3)4;/h10H,2-5H2,1H3,(H2,7,8);(H2,1,2,3,4);1H2