3-(2,5-dimethylphenyl)sulfanylpentan-1-amine

Systemtic Name: 3-(2,5-dimethylphenyl)sulfanylpentan-1-amine Openeye Name: 3-(2,5-dimethylphenyl)sulfanylpentan-1-amine CAS Name: 3-[(2,5-dimethylphenyl)thio]-1-pentanamine IUPAC Name: 3-(2,5-dimethylphenyl)sulfanylpentan-1-amine Traditional Name: 3-[(2,5-dimethylphenyl)thio]pentylamine Formula: C13H21NS MolecularWeight: 223.37754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN)SC1=C(C=CC(=C1)C)C

Isomeric SMILES

CCC(CCN)SC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C13H21NS/c1-4-12(7-8-14)15-13-9-10(2)5-6-11(13)3/h5-6,9,12H,4,7-8,14H2,1-3H3