Basic information
- CAS
102571-37-9- Standard SMILES
CCCCCCCCOC[N+](C)(C)c1ccc2nsnc2c1.[I-]- InChIKey
BCMUOJDUDQXYSQ-UHFFFAOYSA-M- Molecular formula
- C17H28IN3OS
- Average molar mass
- 449.4 g/mol
- Monoisotopic mass
- 449.09978
Names & identifiers
- Preferred name
- Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide
- IUPAC
- 2,1,3-benzothiadiazol-5-yl-dimethyl-(octoxymethyl)azanium iodide
- English name
- (2,1,3-Benzothia(S IV)diazol-5-yl)dimethyloctoxymethylammonium iodide
- Molecular formula
- C17H28N3OS.I
- Molecular weight
- 449.394
Names & synonyms
102571-37-9(2,1,3-Benzothia(S IV)diazol-5-yl)dimethyloctoxymethylammonium iodideAMMONIUM, (2,1,3-BENZOTHIA(S IV)DIAZOL-5-YL)DIMETHYLOCTYLOXYMETHYL-, IODIDERefChem:318689DTXSID709077542,1,3-benzothiadiazol-5-yl-dimethyl-(octoxymethyl)azanium;iodiden,n-dimethyl-n-[(octyloxy)methyl]-2,1,3-benzothiadiazol-5-aminium iodide2,1,3-Benzothiadiazol-6-yl-dimethyl-(octoxymethyl)azanium iodide
Database identifiers
- CAS
102571-37-9- PubChem CID
- 59526
- DTXSID
DTXSID70907754
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 314
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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