1-isothiocyanato-4-methylsulfonyl-cyclohexane

Systemtic Name: 1-isothiocyanato-4-methylsulfonyl-cyclohexane Openeye Name: 1-isothiocyanato-4-methylsulfonyl-cyclohexane CAS Name: 1-isothiocyanato-4-methylsulfonylcyclohexane IUPAC Name: 1-isothiocyanato-4-methylsulfonylcyclohexane Traditional Name: 1-isothiocyanato-4-mesyl-cyclohexane Formula: C8H13NO2S2 MolecularWeight: 219.32432

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1CCC(CC1)N=C=S

Isomeric SMILES

CS(=O)(=O)C1CCC(CC1)N=C=S

InChI

InChI=1S/C8H13NO2S2/c1-13(10,11)8-4-2-7(3-5-8)9-6-12/h7-8H,2-5H2,1H3