[4-methyl-1,1-bis(oxidanylidene)thiolan-3-yl] carbamimidothioate; sulfuric acid

Systemtic Name: [4-methyl-1,1-bis(oxidanylidene)thiolan-3-yl] carbamimidothioate; sulfuric acid Openeye Name: 2-(4-methyl-1,1-dioxo-thiolan-3-yl)isothiourea; sulfuric acid CAS Name: carbamimidothioic acid (4-methyl-1,1-dioxo-3-thiolanyl) ester; sulfuric acid IUPAC Name: (4-methyl-1,1-dioxothiolan-3-yl) carbamimidothioate; sulfuric acid Traditional Name: 2-(1,1-diketo-4-methyl-thiolan-3-yl)isothiourea; sulfuric acid Formula: C6H14N2O6S3 MolecularWeight: 306.38016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CS(=O)(=O)CC1SC(=N)N.OS(=O)(=O)O

Isomeric SMILES

CC1CS(=O)(=O)CC1SC(=N)N.OS(=O)(=O)O

InChI

InChI=1S/C6H12N2O2S2.H2O4S/c1-4-2-12(9,10)3-5(4)11-6(7)8;1-5(2,3)4/h4-5H,2-3H2,1H3,(H3,7,8);(H2,1,2,3,4)