N-Phenacylthiazolium bromide
Basic information
- CAS
5304-34-7- Standard SMILES
O=C(C[n+]1ccsc1)c1ccccc1.[Br-]- InChIKey
CEAFABGKSOIJLH-UHFFFAOYSA-M- Molecular formula
- C11H10BrNOS
- Average molar mass
- 284.17 g/mol
- Monoisotopic mass
- 282.96665
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-Phenacylthiazolium bromide
- IUPAC
- 1-phenyl-2-(1,3-thiazol-3-ium-3-yl)ethanone bromide
- English name
- N-Phenacylthiazolium bromide
- Molecular formula
- C11H10BrNOS
- Molecular weight
- 284.17
Names & synonyms
N-Phenacylthiazolium bromide5304-34-7JE6JEU5BW6DTXSID30431106RefChem:164102DTXCID103819383-(2-Oxo-2-phenylethyl)thiazol-3-ium bromide3-Phenacylthiazolium bromideThiazolium, 3-phenacyl-, bromideMFCD009490723-(2-oxo-2-phenylethyl)-1,3-thiazol-3-ium bromide1-phenyl-2-(1,3-thiazol-3-ium-3-yl)ethanone;bromide
Show more names
3-PhenacylthiazoliumbromideThiazoliuM,3-(2-oxo-2-phenylethyl)-, broMide (1:1)
Thiazolium, 3-(2-oxo-2-phenylethyl)-, bromideThiazolium, 3-(2-oxo-2-phenylethyl)-, bromide (1:1)3-(2-oxo-2-phenylethyl)-1,3-thiazol-3-iumHMS2509I07UNII-JE6JEU5BW6N-PhenacylthiaZylium bromideMLS000705901SCHEMBL122633
Database identifiers
- CAS
5304-34-7- PubChem CID
- 9814367
- DTXSID
DTXSID30431106- ChEMBL
CHEMBL1499290- UNII
- JE6JEU5BW6
Properties
Computed structural properties
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Melting point
- 227 · 227-229 °C (decomp)
- FDA UNII
- 6 JEU5BW6 · JE6JEU5BW6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HS Code
- 29341000 · 29341000
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
- hs_code
- 29341000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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