2,4-dimethyl-3-sulfanyl-benzenecarbothioic S-acid

Systemtic Name: 2,4-dimethyl-3-sulfanyl-benzenecarbothioic S-acid Openeye Name: 2,4-dimethyl-3-sulfanyl-benzenecarbothioic S-acid CAS Name: 3-mercapto-2,4-dimethylbenzenecarbothioic S-acid IUPAC Name: 2,4-dimethyl-3-sulfanylbenzenecarbothioic S-acid Traditional Name: 3-mercapto-2,4-dimethyl-thiobenzoic acid Formula: C9H10OS2 MolecularWeight: 198.3051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)S)C)S

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)S)C)S

InChI

InChI=1S/C9H10OS2/c1-5-3-4-7(9(10)12)6(2)8(5)11/h3-4,11H,1-2H3,(H,10,12)