Benzothiazolium, 2-(2-(4-amino-2-methylphenyl)diazenyl)-3-methyl-, methyl sulfate (1:1)
Basic information
- CAS
85030-22-4- Standard SMILES
COS(=O)(=O)[O-].Cc1cc(N)ccc1N=Nc1sc2ccccc2[n+]1C- InChIKey
BCCJIWUWWMNVOU-UHFFFAOYSA-N- Molecular formula
- C16H18N4O4S2
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.07694742
Names & identifiers
- Preferred name
- Benzothiazolium, 2-(2-(4-amino-2-methylphenyl)diazenyl)-3-methyl-, methyl sulfate (1:1)
- IUPAC
- 3-methyl-4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]aniline;methyl sulfate
Names & synonyms
85030-22-4EINECS 285-147-0DTXSID90888657Benzothiazolium, 2-((4-amino-2-methylphenyl)azo)-3-methyl-, methyl sulfateBenzothiazolium, 2-(2-(4-amino-2-methylphenyl)diazenyl)-3-methyl-, methyl sulfate (1:1)Benzothiazolium, 2-[(4-amino-2-methylphenyl)azo]-3-methyl-, methyl sulfateBenzothiazolium, 2-[2-(4-amino-2-methylphenyl)diazenyl]-3-methyl-, methyl sulfate (1:1)RefChem:118594DTXCID9010279332-((4-Amino-m-tolyl)azo)-3-methylbenzothiazolium methyl sulphate2-[(4-Amino-2-methylphenyl)diazenyl]-3-methyl-1,3-benzothiazol-3-ium methyl sulfate
Database identifiers
- CAS
85030-22-4- PubChem CID
- 174405
- DTXSID
DTXSID90888657- EC Number
- 285-147-0
Properties
Computed structural properties
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 452
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazolium, 2-[2-(4-amino-2-methylphenyl)diazenyl]-3-methyl-, methyl sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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