1-isothiocyanato-3,3-dimethyl-butan-1-one

Systemtic Name: 1-isothiocyanato-3,3-dimethyl-butan-1-one Openeye Name: 3,3-dimethylbutanoyl isothiocyanate CAS Name: 1-isothiocyanato-3,3-dimethyl-1-butanone IUPAC Name: 3,3-dimethylbutanoyl isothiocyanate Traditional Name: 1-isothiocyanato-3,3-dimethyl-butan-1-one Formula: C7H11NOS MolecularWeight: 157.23334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N=C=S

Isomeric SMILES

CC(C)(C)CC(=O)N=C=S

InChI

InChI=1S/C7H11NOS/c1-7(2,3)4-6(9)8-5-10/h4H2,1-3H3