N'-[(2S)-1-bis(oxidanyl)phosphinothioyloxypropan-2-yl]propane-1,3-diamine hydrate

Systemtic Name: N'-[(2S)-1-bis(oxidanyl)phosphinothioyloxypropan-2-yl]propane-1,3-diamine hydrate Openeye Name: N'-[(1S)-2-dihydroxyphosphinothioyloxy-1-methyl-ethyl]propane-1,3-diamine hydrate CAS Name: N'-[(2S)-1-dihydroxyphosphinothioyloxypropan-2-yl]propane-1,3-diamine hydrate IUPAC Name: N'-[(2S)-1-dihydroxyphosphinothioyloxypropan-2-yl]propane-1,3-diamine hydrate Traditional Name: 3-aminopropyl-[(1S)-2-dihydroxythiophosphoryloxy-1-methyl-ethyl]amine hydrate Formula: C6H19N2O4PS MolecularWeight: 246.264821

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Descriptors Computed from Structure

Canonical SMILES:

CC(COP(=S)(O)O)NCCCN.O

Isomeric SMILES

C[C@@H](COP(=S)(O)O)NCCCN.O

InChI

InChI=1S/C6H17N2O3PS.H2O/c1-6(8-4-2-3-7)5-11-12(9,10)13;/h6,8H,2-5,7H2,1H3,(H2,9,10,13);1H2/t6-;/m0./s1