3-Allyl-2-(3-(3-allylbenzothiazol-2(3H)-ylidene)prop-1-enyl)benzothiazolium bromide
Basic information
- CAS
32835-27-1- Standard SMILES
C=CCN1/C(=C/C=C/c2sc3ccccc3[n+]2CC=C)Sc2ccccc21.[Br-]- InChIKey
YAGAKRLBKZLCNW-UHFFFAOYSA-M- Molecular formula
- C23H21BrN2S2
- Average molar mass
- 469.5 g/mol
- Monoisotopic mass
- 468.03295
Names & identifiers
- Preferred name
- 3-Allyl-2-(3-(3-allylbenzothiazol-2(3H)-ylidene)prop-1-enyl)benzothiazolium bromide
- IUPAC
- (2Z)-3-prop-2-enyl-2-[(E)-3-(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole bromide
Names & synonyms
32835-27-1EINECS 251-250-43-Allyl-2-(3-(3-allylbenzothiazol-2(3H)-ylidene)prop-1-enyl)benzothiazolium bromide3-ALLYL-2-[3-[3-ALLYLBENZOTHIAZOL-2(3H)-YLIDENE]PROP-1-ENYL]BENZOTHIAZOLIUM BROMIDE
Database identifiers
- CAS
32835-27-1- PubChem CID
- 21481807
- EC Number
- 251-250-4
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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