S-methyl 4-(2-methylpropyl)benzenecarbothioate

Systemtic Name: S-methyl 4-(2-methylpropyl)benzenecarbothioate Openeye Name: S-methyl 4-isobutylbenzenecarbothioate CAS Name: 4-(2-methylpropyl)benzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-(2-methylpropyl)benzenecarbothioate Traditional Name: 4-isobutylthiobenzoic acid S-methyl ester Formula: C12H16OS MolecularWeight: 208.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)SC

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)SC

InChI

InChI=1S/C12H16OS/c1-9(2)8-10-4-6-11(7-5-10)12(13)14-3/h4-7,9H,8H2,1-3H3