Basic information
- CAS
875785-14-1- Standard SMILES
[Br-].c1ccc(-[n+]2ccsc2)cc1- InChIKey
XUMWDPHRECBDLD-UHFFFAOYSA-M- Molecular formula
- C9H8BrNS
- Average molar mass
- 242.14 g/mol
- Monoisotopic mass
- 240.95608
Names & identifiers
- Preferred name
- Thiazolium, 3-phenyl-, bromide
- IUPAC
- 3-phenyl-1,3-thiazol-3-ium bromide
Names & synonyms
Thiazolium, 3-phenyl-, bromide875785-14-1DTXSID10469609RefChem:384784DTXCID60420427N-phenylthiazolium bromideSCHEMBL49392223-Phenyl-1,3-thiazol-3-ium bromide
Database identifiers
- CAS
875785-14-1- PubChem CID
- 11622852
- DTXSID
DTXSID10469609
Properties
Computed structural properties
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…