2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]ethanamine

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]ethanamine Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]ethanamine CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]ethanamine IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]ethanamine Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]ethylamine Formula: C10H12ClNO2S MolecularWeight: 245.72578

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CSCCN)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSCCN)Cl

InChI

InChI=1S/C10H12ClNO2S/c11-8-3-7(5-15-2-1-12)4-9-10(8)14-6-13-9/h3-4H,1-2,5-6,12H2