S-(3-sulfanylpropyl) 2-phenylethanethioate

Systemtic Name: S-(3-sulfanylpropyl) 2-phenylethanethioate Openeye Name: S-(3-sulfanylpropyl) 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-(3-mercaptopropyl) ester IUPAC Name: S-(3-sulfanylpropyl) 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-(3-mercaptopropyl) ester Formula: C11H14OS2 MolecularWeight: 226.35826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)SCCCS

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)SCCCS

InChI

InChI=1S/C11H14OS2/c12-11(14-8-4-7-13)9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2