tert-butyl 3-isothiocyanatobenzoate

CAS: 486415-53-6

Formula: C12H13NO2S

SMILES: CC(C)(C)OC(=O)C1=CC(=CC=C1)N=C=S

IUPAC: tert-butyl 3-isothiocyanatobenzoate

InChI: InChI=1S/C12H13NO2S/c1-12(2,3)15-11(14)9-5-4-6-10(7-9)13-8-16/h4-7H,1-3H3

Composition: C (61.25%), H (5.57%), N (5.95%), O (13.60%), S (13.63%)

Molar Mass: 235.3

Atom Count: 29

Heavy Atom Count: 16