Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1)
Basic information
- CAS
63123-34-2- Standard SMILES
Cc1sc2ccccc2[n+]1CCO.[Br-]- InChIKey
KMZBNPIZUBVKDQ-UHFFFAOYSA-M- Molecular formula
- C10H12BrNOS
- Average molar mass
- 274.18 g/mol
- Monoisotopic mass
- 272.9823
Names & identifiers
- Preferred name
- Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1)
- IUPAC
- 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide
- English name
- 3-(2-hydroxyethyl)-2-methylbenzothiazolium bromide
- Molecular formula
- C10H12BrNOS
- Molecular weight
- 274.17738
Names & synonyms
63123-34-2Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromideDTXSID50886174EINECS 263-878-6Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1)3-(beta-Hydroxyethyl)-2-methylbenzothiazolium bromideRefChem:118620DTXCID3010255153-(2-Hydroxyethyl)-2-methylbenzothiazolium bromideSCHEMBL3288555SCHEMBL3288558DB-217595
Show more names
NS000555883-(2-Hydroxy)ethyl-2-methylbenzothiazolium Bromide3-(2-HYDROXYETHYL)-2-METHYL-1,3-BENZOTHIAZOL-3-IUM BROMIDE
Database identifiers
- CAS
63123-34-2- PubChem CID
- 113017
- DTXSID
DTXSID50886174- EC Number
- 263-878-6
Properties
Computed structural properties
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- EPA Substance Registry System
- 3 · Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (63123-34-2)
- 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-(2-hydroxyethyl)-2-methyl-, bromide (1:1): INACTIVE
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Related reactions
3 records
Compound notes
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