3-(4-methyl-3-propylsulfanyl-phenoxy)propane-1-thiol

Systemtic Name: 3-(4-methyl-3-propylsulfanyl-phenoxy)propane-1-thiol Openeye Name: 3-(4-methyl-3-propylsulfanyl-phenoxy)propane-1-thiol CAS Name: 3-[4-methyl-3-(propylthio)phenoxy]-1-propanethiol IUPAC Name: 3-(4-methyl-3-propylsulfanylphenoxy)propane-1-thiol Traditional Name: 3-[4-methyl-3-(propylthio)phenoxy]propane-1-thiol Formula: C13H20OS2 MolecularWeight: 256.4273

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=C1)OCCCS)C

Isomeric SMILES

CCCSC1=C(C=CC(=C1)OCCCS)C

InChI

InChI=1S/C13H20OS2/c1-3-9-16-13-10-12(6-5-11(13)2)14-7-4-8-15/h5-6,10,15H,3-4,7-9H2,1-2H3