N'-[2-bis(oxidanyl)phosphinothioyloxyethyl]-N-methyl-propane-1,3-diamine hydrate

Systemtic Name: N'-[2-bis(oxidanyl)phosphinothioyloxyethyl]-N-methyl-propane-1,3-diamine hydrate Openeye Name: N'-(2-dihydroxyphosphinothioyloxyethyl)-N-methyl-propane-1,3-diamine hydrate CAS Name: N'-(2-dihydroxyphosphinothioyloxyethyl)-N-methylpropane-1,3-diamine hydrate IUPAC Name: N'-(2-dihydroxyphosphinothioyloxyethyl)-N-methylpropane-1,3-diamine hydrate Traditional Name: 2-dihydroxythiophosphoryloxyethyl-[3-(methylamino)propyl]amine hydrate Formula: C6H19N2O4PS MolecularWeight: 246.264821

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCNCCOP(=S)(O)O.O

Isomeric SMILES

CNCCCNCCOP(=S)(O)O.O

InChI

InChI=1S/C6H17N2O3PS.H2O/c1-7-3-2-4-8-5-6-11-12(9,10)13;/h7-8H,2-6H2,1H3,(H2,9,10,13);1H2