[5-tert-butyl-2-methyl-3-(sulfanylmethyl)phenyl]methanethiol

Systemtic Name: [5-tert-butyl-2-methyl-3-(sulfanylmethyl)phenyl]methanethiol Openeye Name: [5-tert-butyl-2-methyl-3-(sulfanylmethyl)phenyl]methanethiol CAS Name: [5-tert-butyl-3-(mercaptomethyl)-2-methylphenyl]methanethiol IUPAC Name: [5-tert-butyl-2-methyl-3-(sulfanylmethyl)phenyl]methanethiol Traditional Name: [5-tert-butyl-3-(mercaptomethyl)-2-methyl-phenyl]methanethiol Formula: C13H20S2 MolecularWeight: 240.4279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1CS)C(C)(C)C)CS

Isomeric SMILES

CC1=C(C=C(C=C1CS)C(C)(C)C)CS

InChI

InChI=1S/C13H20S2/c1-9-10(7-14)5-12(13(2,3)4)6-11(9)8-15/h5-6,14-15H,7-8H2,1-4H3