Benzothiazolium, 5-chloro-2-[2-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-3-ethyl-, bromide (1:1)
Basic information
- CAS
18426-56-7- Standard SMILES
CCC(=Cc1sc2ccc(Cl)cc2[n+]1CC)C=C1Sc2ccc(Cl)cc2N1CC.[Br-]- InChIKey
IRDCLYHXVTZGKY-UHFFFAOYSA-M- Molecular formula
- C23H23Cl2N2S2.Br
- Average molar mass
- 542.4 g/mol
- Monoisotopic mass
- 539.98631
Names & identifiers
- Preferred name
- Benzothiazolium, 5-chloro-2-[2-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-3-ethyl-, bromide (1:1)
- IUPAC
- 5-chloro-2-[2-[(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-ethyl-1,3-benzothiazole bromide
Names & synonyms
18426-56-7EINECS 242-303-2Benzothiazolium, 5-chloro-2-(2-((5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-3-ethyl-, bromideDTXSID50885041Benzothiazolium, 5-chloro-2-(2-((5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-3-ethyl-, bromide (1:1)Benzothiazolium, 5-chloro-2-[2-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-3-ethyl-, bromide (1:1)Benzothiazolium, 5-chloro-2-[2-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-3-ethyl-, bromideRefChem:118670DTXCID001024449IRDCLYHXVTZGKY-UHFFFAOYSA-MSCHEMBL9190360NS00052985
Show more names
5-Chloro-2-(2-((5-chloro-3-ethyl-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-3-ethylbenzothiazolium bromide5-chloro-2-[2-[(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-ethyl-1,3-benzothiazole;bromide5-Chloro-2-{2-[(5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-3-ethyl-1,3-benzothiazol-3-ium bromide
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 589
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzothiazolium, 5-chloro-2-[2-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-3-ethyl-, bromide
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazolium, 5-chloro-2-[2-[(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-3-ethyl-, bromide (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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