Basic information
- Standard SMILES
Br.Br.c1ccc2c(N3CCNCC3)nsc2c1- InChIKey
HLEXCHFZLBWFPF-UHFFFAOYSA-N- Molecular formula
- C11H15Br2N3S
- Average molar mass
- 381.13 g/mol
- Monoisotopic mass
- 378.93534
Names & identifiers
- Preferred name
- 3-(1-Piperazinyl)-1,2-benzisothiazole dihydrobromide
- IUPAC
- 3-piperazin-1-yl-1,2-benzothiazole;dihydrobromide
Names & synonyms
SCHEMBL9207008HLEXCHFZLBWFPF-UHFFFAOYSA-N3-(1-piperazinyl)-1,2-benzisothiazole dihydrobromide
Database identifiers
- PubChem CID
- 19834479
Properties
Computed structural properties
- Topological polar surface area
- 56.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 218
Related reactions
2 records
Compound notes
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