Basic information
- CAS
5304-18-7- Standard SMILES
CC[n+]1c(C)sc2cc(C)ccc21.[I-]- InChIKey
LKTNFBVQAYVDIX-UHFFFAOYSA-M- Molecular formula
- C11H14INS
- Average molar mass
- 319.21 g/mol
- Monoisotopic mass
- 318.98917
Names & identifiers
- Preferred name
- Benzothiazolium, 3-ethyl-2,6-dimethyl-, iodide (1:1)
- IUPAC
- 3-ethyl-2,6-dimethyl-1,3-benzothiazol-3-ium iodide
- English name
- 2,6-Dimethyl-3-ethylbenzothiazolium iodide
- Molecular formula
- C11H14INS
- Molecular weight
- 319.21
Names & synonyms
5304-18-7Benzothiazolium, 3-ethyl-2,6-dimethyl-, iodideBenzothiazolium, 3-ethyl-2,6-dimethyl-, iodide (1:1)DTXSID00884145RefChem:118631DTXCID901023612MLS000709326SMR0002899933-ethyl-2,6-dimethyl-1,3-benzothiazol-3-ium iodideOpera_ID_967CHEMBL1457398LKTNFBVQAYVDIX-UHFFFAOYSA-M
Show more names
2,6-Dimethyl-3-ethylbenzothiazolium iodide
Database identifiers
- CAS
5304-18-7- PubChem CID
- 79188
- DTXSID
DTXSID00884145- ChEMBL
CHEMBL1457398
Properties
Computed structural properties
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- EPA Substance Registry System
- 3 · Benzothiazolium, 3-ethyl-2,6-dimethyl-, iodide (5304-18-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazolium, 3-ethyl-2,6-dimethyl-, iodide (1:1): INACTIVE
Suppliers3 total
Carbone Scientific CO., LTD[email protected]
HWSANDS-OLED[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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