2-(((1,3-Dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)methyl)azo)-3-methylbenzothiazolium acetate
Basic information
- CAS
84788-02-3- Standard SMILES
CC(=O)[O-].Cn1c(/C=N/N=c2\sc3ccccc3n2C)[n+](C)c2ccccc21- InChIKey
OWCGXKHEAXZCBC-UHFFFAOYSA-M- Molecular formula
- C20H21N5O2S
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.1415961
Overview
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Names & identifiers
- Preferred name
- 2-(((1,3-Dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)methyl)azo)-3-methylbenzothiazolium acetate
- IUPAC
- (E)-N-[(E)-(1,3-dimethylbenzimidazol-3-ium-2-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine acetate
Names & synonyms
84788-02-3EINECS 284-141-52-(((1,3-Dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)methyl)azo)-3-methylbenzothiazolium acetate
Database identifiers
- CAS
84788-02-3- PubChem CID
- 44148014
- EC Number
- 284-141-5
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 529
Related reactions
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Compound notes
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