Basic information
- CAS
50774-65-7- Standard SMILES
CC[n+]1c(C)sc2ccc(C)cc21.[I-]- InChIKey
SDRAKXLNMLPVHD-UHFFFAOYSA-M- Molecular formula
- C11H14INS
- Average molar mass
- 319.21 g/mol
- Monoisotopic mass
- 318.98917
Names & identifiers
- Preferred name
- Benzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1)
- IUPAC
- 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium iodide
- English name
- 3-ethyl-2,5-dimethylbenzothiazolium iodide
- Molecular formula
- C11H14INS
- Molecular weight
- 319.2
Names & synonyms
50774-65-7EINECS 256-757-42,5-Dimethylbenzothiazole, ethiodideBenzothiazolium, 3-ethyl-2,5-dimethyl-, iodideBenzothiazolium, 3-ethyl-2,5-dimethyl-, iodide (1:1)DTXSID40885919RefChem:118630DTXCID4010252753-Ethyl-2,5-dimethylbenzothiazolium iodide3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium iodideSCHEMBL10890986SCHEMBL10890994
Show more names
SDRAKXLNMLPVHD-UHFFFAOYSA-MNS00059325SR-01000391514SR-01000391514-1
Database identifiers
- CAS
50774-65-7- PubChem CID
- 170899
- DTXSID
DTXSID40885919- EC Number
- 256-757-4
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-2,5-dimethyl-, iodide (50774-65-7)
- 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-2,5-dimethyl-, iodide (1:1): INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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