(3-methylpyrimidine-1,3-diium-1-yl)methanethiol

Systemtic Name: (3-methylpyrimidine-1,3-diium-1-yl)methanethiol Openeye Name: (3-methylpyrimidine-1,3-diium-1-yl)methanethiol CAS Name: (3-methyl-1-pyrimidine-1,3-diiumyl)methanethiol IUPAC Name: (3-methylpyrimidine-1,3-diium-1-yl)methanethiol Traditional Name: (3-methylpyrimidine-1,3-diium-1-yl)methanethiol Formula: C6H10N2S+2 MolecularWeight: 142.222

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C[N+](=CC=C1)CS

Isomeric SMILES

C[N+]1=C[N+](=CC=C1)CS

InChI

InChI=1S/C6H9N2S/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3/q+1/p+1