Basic information
- CAS
54350-28-6- Standard SMILES
CCN1/C(=C/C=C/c2sc3ccc(Cl)cc3[n+]2CC)Sc2ccc(Cl)cc21.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
ZEXVRZLZAIQKRI-UHFFFAOYSA-M- Molecular formula
- C28H27Cl2N2O3S3+
- Average molar mass
- 606.6 g/mol
- Monoisotopic mass
- 605.0560866
Names & identifiers
- Preferred name
- (2Z)-5-chloro-2-[(E)-3-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole;4-methylbenzenesulfonic acid
- IUPAC
- (2Z)-5-chloro-2-[(E)-3-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole;4-methylbenzenesulfonic acid
- English name
- Benzothiazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-2(3H)-benzothiazolyli dene)-1-propenyl)-3-ethyl-, salt with 4-methylbenzenesulfonic acid (1: 1)
- Molecular formula
- C28H26Cl2N2O3S3
- Molecular weight
- 605.61
Names & synonyms
54350-28-65-Chloro-2-(3-(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)-1-propenyl)-3-ethylbenzothiazolium salt with 4-methylbenzenesulfonic acid (1:1)Benzothiazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)-1-propenyl)-3-ethyl-, salt with 4-methylbenzenesulfonic acid (1:1)Benzothiazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-2(3H)-benzothiazolyli dene)-1-propenyl)-3-ethyl-, salt with 4-methylbenzenesulfonic acid (1: 1)
Database identifiers
- CAS
54350-28-6- PubChem CID
- 5488147
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 1
- Complexity
- 743
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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