1-isothiocyanato-3-methyl-butan-1-one

Systemtic Name: 1-isothiocyanato-3-methyl-butan-1-one Openeye Name: 3-methylbutanoyl isothiocyanate CAS Name: 1-isothiocyanato-3-methyl-1-butanone IUPAC Name: 3-methylbutanoyl isothiocyanate Traditional Name: 1-isothiocyanato-3-methyl-butan-1-one Formula: C6H9NOS MolecularWeight: 143.20676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9NOS/c1-5(2)3-6(8)7-4-9/h5H,3H2,1-2H3