ethane-1,1-disulfonic acid; 2-(4-methyl-1,3-thiazol-5-yl)ethanethiol

Systemtic Name: ethane-1,1-disulfonic acid; 2-(4-methyl-1,3-thiazol-5-yl)ethanethiol Openeye Name: ethane-1,1-disulfonic acid; 2-(4-methylthiazol-5-yl)ethanethiol CAS Name: ethane-1,1-disulfonic acid; 2-(4-methyl-5-thiazolyl)ethanethiol IUPAC Name: ethane-1,1-disulfonic acid; 2-(4-methyl-1,3-thiazol-5-yl)ethanethiol Traditional Name: ethane-1,1-disulfonic acid; 2-(4-methylthiazol-5-yl)ethanethiol Formula: C8H15NO6S4 MolecularWeight: 349.4678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCS.CC(S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(SC=N1)CCS.CC(S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C6H9NS2.C2H6O6S2/c1-5-6(2-3-8)9-4-7-5;1-2(9(3,4)5)10(6,7)8/h4,8H,2-3H2,1H3;2H,1H3,(H,3,4,5)(H,6,7,8)