2-Methyl-3-Propylbenzothiazolium Iodide
[CAS# 60126-29-6]

Identification

• Name: 2-Methyl-3-Propylbenzothiazolium Iodide
• Synonyms: 3-Isobutyl-1,3-Benzothiazol-3-Ium Iodide; Benzothiazolium, 2-Methyl-Propyl-, Iodide
• Molecular Formula: C₁₁H₁₄INS
• Molecular Weight: 319.20
• CAS Registry Number: 60126-29-6
• SMILES: C2=[N+](C1=CC=CC=C1S2)CC(C)C.[I-]
• InChI: 1S/C11H14NS.HI/c1-9(2)7-12-8-13-11-6-4-3-5-10(11)12;/h3-6,8-9H,7H2,1-2H3;1H/q+1;/p-1
• InChIKey: ZHSORAHGHZOKDH-UHFFFAOYSA-M

References

• (1): Nini Ding, Jun Zhang and T. S. Andy Hor. Formation and crystallographic elucidation of stable [4 + 2]-coordinate nickel(ii) N,S-heterocyclic carbene (NSHC) complexes, Dalton Trans., 2009, 1853.