Basic information
- CAS
17768-70-6- Standard SMILES
CCCC[N+](C)(CCCC)CCCN1C(=O)c2ccccc2S1(=O)=O- InChIKey
DZPXFYARXGZGBV-UHFFFAOYSA-N- Molecular formula
- C19H31N2O3S+
- Average molar mass
- 367.5 g/mol
- Monoisotopic mass
- 367.20553903
Names & identifiers
- Preferred name
- N-Butyl-N-methyl-N-[3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propyl]butan-1-aminium
- IUPAC
- dibutyl-methyl-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]azanium
Names & synonyms
17768-70-6DTXSID70328687N-Butyl-N-methyl-N-[3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propyl]butan-1-aminium
Database identifiers
- CAS
17768-70-6- PubChem CID
- 413126
- DTXSID
DTXSID70328687
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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