ethanethioic S-acid; 2-methyl-4,5-bis(sulfanylmethyl)pyridin-3-ol

Systemtic Name: ethanethioic S-acid; 2-methyl-4,5-bis(sulfanylmethyl)pyridin-3-ol Openeye Name: ethanethioic S-acid; 2-methyl-4,5-bis(sulfanylmethyl)pyridin-3-ol CAS Name: 4,5-bis(mercaptomethyl)-2-methyl-3-pyridinol; ethanethioic S-acid IUPAC Name: ethanethioic S-acid; 2-methyl-4,5-bis(sulfanylmethyl)pyridin-3-ol Traditional Name: 4,5-bis(mercaptomethyl)-2-methyl-pyridin-3-ol; thioacetic acid Formula: C12H19NO3S4 MolecularWeight: 353.54416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CS)CS.CC(=O)S.CC(=O)S

Isomeric SMILES

CC1=NC=C(C(=C1O)CS)CS.CC(=O)S.CC(=O)S

InChI

InChI=1S/C8H11NOS2.2C2H4OS/c1-5-8(10)7(4-12)6(3-11)2-9-5;2*1-2(3)4/h2,10-12H,3-4H2,1H3;2*1H3,(H,3,4)