Benzothiazolium, 6-chloro-2-(5-(6-chloro-3-methyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-methyl-, iodide
Basic information
- CAS
14795-77-8- Standard SMILES
CN1C(=CC=CC=Cc2sc3cc(Cl)ccc3[n+]2C)Sc2cc(Cl)ccc21.[I-]- InChIKey
CTPYJHSTHMFAOB-UHFFFAOYSA-M- Molecular formula
- C21H17Cl2IN2S2
- Average molar mass
- 559.3 g/mol
- Monoisotopic mass
- 557.92549
Names & identifiers
- Preferred name
- Benzothiazolium, 6-chloro-2-(5-(6-chloro-3-methyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-methyl-, iodide
- IUPAC
- 6-chloro-2-[5-(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-methyl-1,3-benzothiazole iodide
Names & synonyms
14795-77-8RefChem:3282346,6'-Dichloro-3,3'-dimethylthiadicarbocyanine iodide6,6'-Dichloro-3,3'-dimethylpentamethinethiacyanine iodideBenzothiazolium, 6-chloro-2-(5-(6-chloro-3-methyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-methyl-, iodide6-Chloro-2-[5-(6-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3-methyl-1,3-benzothiazol-3-ium iodideDTXSID20933260
Database identifiers
- CAS
14795-77-8- PubChem CID
- 26915
- DTXSID
DTXSID20933260
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 573
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