Basic information
- CAS
18359-88-1- Standard SMILES
CCN1C(=CC=Cc2sc3ccc4ccccc4c3[n+]2CC)Sc2ccc3ccccc3c21.[I-]- InChIKey
FMJJHXXHXVIAON-UHFFFAOYSA-M- Molecular formula
- C29H25IN2S2
- Average molar mass
- 592.6 g/mol
- Monoisotopic mass
- 592.05039
Overview
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Names & identifiers
- Preferred name
- 3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide
- IUPAC
- 1-ethyl-2-[3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-2-enylidene]benzo[e][1,3]benzothiazole iodide
Names & synonyms
DTXSID70939732FMJJHXXHXVIAON-UHFFFAOYSA-MNS000528433,3-DIETHYL-4,5,4',5'-DIBENZO-THIOCARBOCYANINE IODIDE1-Ethyl-2-[3-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)prop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium iodide
Database identifiers
- CAS
18359-88-1- PubChem CID
- 29040
- DTXSID
DTXSID70939732
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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