Basic information
- Standard SMILES
Cl.c1ccc2c(N3CCNCC3)nsc2c1.c1ccc2c(N3CCNCC3)nsc2c1- InChIKey
SMGDJUOAQQPZFM-UHFFFAOYSA-N- Molecular formula
- C22H27ClN6S2
- Average molar mass
- 475.1 g/mol
Names & identifiers
- Preferred name
- 1-(1,2-Benzisothiazol-3-yl)piperazine 1-(1,2-benzisothiazol-3-yl)piperazine hydrochloride
- IUPAC
- bis(3-piperazin-1-yl-1,2-benzothiazole);hydrochloride
Names & synonyms
SCHEMBL7996950SMGDJUOAQQPZFM-UHFFFAOYSA-N1-(1,2-benzisothiazol-3-yl)piperazine 1-(1,2-benzisothiazol-3-yl)piperazine hydrochloride
Database identifiers
- PubChem CID
- 21706630
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 218
Related reactions
7 records
Compound notes
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