4-thiocyanatohexan-3-yl thiocyanate

Systemtic Name: 4-thiocyanatohexan-3-yl thiocyanate Openeye Name: (1-ethyl-2-thiocyanato-butyl) thiocyanate CAS Name: thiocyanic acid 4-thiocyanatohexan-3-yl ester IUPAC Name: 4-thiocyanatohexan-3-yl thiocyanate Traditional Name: thiocyanic acid (1-ethyl-2-thiocyanato-butyl) ester Formula: C8H12N2S2 MolecularWeight: 200.32428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC)SC#N)SC#N

Isomeric SMILES

CCC(C(CC)SC#N)SC#N

InChI

InChI=1S/C8H12N2S2/c1-3-7(11-5-9)8(4-2)12-6-10/h7-8H,3-4H2,1-2H3