4-[(2-sulfanyl-3H-1,3,4-thiadiazol-2-yl)sulfanyl]butane-1-sulfonic acid

Systemtic Name: 4-[(2-sulfanyl-3H-1,3,4-thiadiazol-2-yl)sulfanyl]butane-1-sulfonic acid Openeye Name: 4-[(2-sulfanyl-3H-1,3,4-thiadiazol-2-yl)sulfanyl]butane-1-sulfonic acid CAS Name: 4-[(2-mercapto-3H-1,3,4-thiadiazol-2-yl)thio]-1-butanesulfonic acid IUPAC Name: 4-[(2-sulfanyl-3H-1,3,4-thiadiazol-2-yl)sulfanyl]butane-1-sulfonic acid Traditional Name: 4-[(2-mercapto-3H-1,3,4-thiadiazol-2-yl)thio]butane-1-sulfonic acid Formula: C6H12N2O3S4 MolecularWeight: 288.43108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(S1)(S)SCCCCS(=O)(=O)O

Isomeric SMILES

C1=NNC(S1)(S)SCCCCS(=O)(=O)O

InChI

InChI=1S/C6H12N2O3S4/c9-15(10,11)4-2-1-3-13-6(12)8-7-5-14-6/h5,8,12H,1-4H2,(H,9,10,11)