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

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Identification
Name 3-Methyl-1,3-Benzothiazol-3-Ium Iodide
Synonyms 3-Methylbenzothiazolium Iodide; Nsc141732; St5412102
Molecular Structure CAS#: 2786-31-4, 3-Methyl-1,3-Benzothiazol-3-Ium Iodide
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  Details
Risk Code R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description WARNING: Irritates lungs, eyes, skin
IRRITANT
SDS Available
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.
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