3-Methyl-1,3-Benzothiazol-3-Ium Iodide
[CAS# 2786-31-4]

Identification

• Name: 3-Methyl-1,3-Benzothiazol-3-Ium Iodide
• Synonyms: 3-Methylbenzothiazolium Iodide; Nsc141732; St5412102
• Molecular Formula: C₈H₈INS
• Molecular Weight: 277.12
• CAS Registry Number: 2786-31-4
• EINECS: 220-505-1
• SMILES: C1=CC=CC2=C1[N+](=CS2)C.[I-]
• InChI: 1S/C8H8NS.HI/c1-9-6-10-8-5-3-2-4-7(8)9;/h2-6H,1H3;1H/q+1;/p-1
• InChIKey: SGYIRNXZLWJMCR-UHFFFAOYSA-M

Properties

• Melting point: 208-210°C (Expl.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: IRRITANT

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.