methylbenzene; 4-(4-sulfanylphenyl)benzenethiol

Systemtic Name: methylbenzene; 4-(4-sulfanylphenyl)benzenethiol Openeye Name: 4-(4-sulfanylphenyl)benzenethiol; toluene CAS Name: 4-(4-mercaptophenyl)benzenethiol; toluene IUPAC Name: 4-(4-sulfanylphenyl)benzenethiol; toluene Traditional Name: 4-(4-mercaptophenyl)benzenethiol; toluene Formula: C19H18S2 MolecularWeight: 310.47622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC(=CC=C1C2=CC=C(C=C2)S)S

Isomeric SMILES

CC1=CC=CC=C1.C1=CC(=CC=C1C2=CC=C(C=C2)S)S

InChI

InChI=1S/C12H10S2.C7H8/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-7-5-3-2-4-6-7/h1-8,13-14H;2-6H,1H3