(3-methyl-4-methylsulfonyl-phenyl)methanethiol

Systemtic Name: (3-methyl-4-methylsulfonyl-phenyl)methanethiol Openeye Name: (3-methyl-4-methylsulfonyl-phenyl)methanethiol CAS Name: (3-methyl-4-methylsulfonylphenyl)methanethiol IUPAC Name: (3-methyl-4-methylsulfonylphenyl)methanethiol Traditional Name: (4-mesyl-3-methyl-phenyl)methanethiol Formula: C9H12O2S2 MolecularWeight: 216.32038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O2S2/c1-7-5-8(6-12)3-4-9(7)13(2,10)11/h3-5,12H,6H2,1-2H3