Basic information
- CAS
54290-17-4- Standard SMILES
CCn1c(=NN=Cc2sc3ccccc3[n+]2CC)sc2ccccc21.[I-]- InChIKey
XDXSMGXAGCDEAS-UHFFFAOYSA-M- Molecular formula
- C19H19IN4S2
- Average molar mass
- 494.4 g/mol
- Monoisotopic mass
- 494.00959
Names & identifiers
- Preferred name
- 1-(3-Ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]diazen-1-ium iodide
- IUPAC
- 3-ethyl-N-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylideneamino]-1,3-benzothiazol-2-imine iodide
Names & synonyms
54290-17-4DTXSID609693461-(3-Ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]diazen-1-ium iodide
Database identifiers
- CAS
54290-17-4- PubChem CID
- 150616
- DTXSID
DTXSID60969346
Properties
Computed structural properties
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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