2,5-diisothiocyanatohex-3-yne

Systemtic Name: 2,5-diisothiocyanatohex-3-yne Openeye Name: 2,5-diisothiocyanatohex-3-yne CAS Name: 2,5-diisothiocyanato-3-hexyne IUPAC Name: 2,5-diisothiocyanatohex-3-yne Traditional Name: 2,5-diisothiocyanatohex-3-yne Formula: C8H8N2S2 MolecularWeight: 196.29252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC(C)N=C=S)N=C=S

Isomeric SMILES

CC(C#CC(C)N=C=S)N=C=S

InChI

InChI=1S/C8H8N2S2/c1-7(9-5-11)3-4-8(2)10-6-12/h7-8H,1-2H3