5-[4-(sulfanylmethyl)phenyl]pentane-1-thiol

Systemtic Name: 5-[4-(sulfanylmethyl)phenyl]pentane-1-thiol Openeye Name: 5-[4-(sulfanylmethyl)phenyl]pentane-1-thiol CAS Name: 5-[4-(mercaptomethyl)phenyl]-1-pentanethiol IUPAC Name: 5-[4-(sulfanylmethyl)phenyl]pentane-1-thiol Traditional Name: 5-[4-(mercaptomethyl)phenyl]pentane-1-thiol Formula: C12H18S2 MolecularWeight: 226.40132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCS)CS

Isomeric SMILES

C1=CC(=CC=C1CCCCCS)CS

InChI

InChI=1S/C12H18S2/c13-9-3-1-2-4-11-5-7-12(10-14)8-6-11/h5-8,13-14H,1-4,9-10H2