1-Ethyl-2-[(1E,3Z,5E,7Z)-7-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)hepta-1,3,5-trien-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium iodide
Basic information
- CAS
20682-18-2- Standard SMILES
CCN1/C(=C/C=C/C=C/C=C/c2sc3ccc4ccccc4c3[n+]2CC)Sc2ccc3ccccc3c21.[I-]- InChIKey
JJVOAWNDTVBNAM-UHFFFAOYSA-M- Molecular formula
- C33H29IN2S2
- Average molar mass
- 644.6 g/mol
- Monoisotopic mass
- 644.08169
Names & identifiers
- Preferred name
- 1-Ethyl-2-[(1E,3Z,5E,7Z)-7-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)hepta-1,3,5-trien-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium iodide
- IUPAC
- (2Z)-1-ethyl-2-[(2E,4E,6E)-7-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e][1,3]benzothiazole iodide
Names & synonyms
DDTTC20682-18-2DTXSID507161041-Ethyl-2-[(1E,3Z,5E,7Z)-7-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)hepta-1,3,5-trien-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium iodide
Database identifiers
- CAS
20682-18-2- PubChem CID
- 9895656
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 824
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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