2-(sulfosulfanylmethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine

Systemtic Name: 2-(sulfosulfanylmethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine Openeye Name: 2-(sulfosulfanylmethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine CAS Name: 2-[(sulfothio)methyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine IUPAC Name: 2-(sulfosulfanylmethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine Traditional Name: 2-[(sulfothio)methyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine Formula: C6H12N2O3S2 MolecularWeight: 224.30108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C(NC1)CSS(=O)(=O)O

Isomeric SMILES

C1CCN=C(NC1)CSS(=O)(=O)O

InChI

InChI=1S/C6H12N2O3S2/c9-13(10,11)12-5-6-7-3-1-2-4-8-6/h1-5H2,(H,7,8)(H,9,10,11)