Benzothiazolium, 3-butyl-, bromide
Basic information
- CAS
87910-63-2- Standard SMILES
CCCC[n+]1csc2ccccc21.[Br-]- InChIKey
DXNXFPFGRQRZCO-UHFFFAOYSA-M- Molecular formula
- C11H14BrNS
- Average molar mass
- 272.21 g/mol
- Monoisotopic mass
- 271.00303
Names & identifiers
- Preferred name
- Benzothiazolium, 3-butyl-, bromide
- IUPAC
- 3-butyl-1,3-benzothiazol-3-ium bromide
- English name
- 3-butylbenzo[d]thiazol-3-iuM broMide
- Molecular formula
- C11H14BrNS
- Molecular weight
- 272.20456
Names & synonyms
87910-63-2Benzothiazolium, 3-butyl-, bromide3-butyl-1,3-benzothiazol-3-ium bromideSCHEMBL9694629DTXSID6010078493-butylbenzo[d]thiazol-3-iuM broMide
Database identifiers
- CAS
87910-63-2- PubChem CID
- 159172
- DTXSID
DTXSID601007849
Properties
Computed structural properties
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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