Naphtho(1,2-d)thiazolium, 1-ethyl-2-(3-(1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-1-propen-1-yl)-, iodide (1:1)
Basic information
- CAS
18359-88-1- Standard SMILES
CCN1/C(=C/C=C/c2sc3ccc4ccccc4c3[n+]2CC)Sc2ccc3ccccc3c21.[I-]- InChIKey
FMJJHXXHXVIAON-UHFFFAOYSA-M- Molecular formula
- C29H25IN2S2
- Average molar mass
- 592.6 g/mol
- Monoisotopic mass
- 592.05039
Names & identifiers
- Preferred name
- Naphtho(1,2-d)thiazolium, 1-ethyl-2-(3-(1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-1-propen-1-yl)-, iodide (1:1)
- IUPAC
- (2Z)-1-ethyl-2-[(E)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-2-enylidene]benzo[e][1,3]benzothiazole iodide
Names & synonyms
18359-88-1RefChem:1092267Naphtho(1,2-d)thiazolium, 1-ethyl-2-(3-(1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-1-propen-1-yl)-, iodide (1:1)1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-propenyl]naphtho[1,2-d]thiazolium iodide(2E)-1-ethyl-2-[(E)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-2-enylidene]benzo[e][1,3]benzothiazole;iodide(2Z)-1-ethyl-2-[(E)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-2-enylidene]benzo[e][1,3]benzothiazole;iodide
Database identifiers
- CAS
18359-88-1- PubChem CID
- 6509537
- EC Number
- 242-229-0
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 690
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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