1-[3-(1-sulfanylbutyl)phenyl]butane-1-thiol

Systemtic Name: 1-[3-(1-sulfanylbutyl)phenyl]butane-1-thiol Openeye Name: 1-[3-(1-sulfanylbutyl)phenyl]butane-1-thiol CAS Name: 1-[3-(1-mercaptobutyl)phenyl]-1-butanethiol IUPAC Name: 1-[3-(1-sulfanylbutyl)phenyl]butane-1-thiol Traditional Name: 1-[3-(1-mercaptobutyl)phenyl]butane-1-thiol Formula: C14H22S2 MolecularWeight: 254.45448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC=C1)C(CCC)S)S

Isomeric SMILES

CCCC(C1=CC(=CC=C1)C(CCC)S)S

InChI

InChI=1S/C14H22S2/c1-3-6-13(15)11-8-5-9-12(10-11)14(16)7-4-2/h5,8-10,13-16H,3-4,6-7H2,1-2H3