Benzothiazolium, 2-(2-(4-((2,3-dimethoxypropyl)ethylamino)phenyl)diazenyl)-6-methoxy-3-methyl-, chloride (1:1)
Basic information
- CAS
67326-79-8- Standard SMILES
CCN(CC(COC)OC)c1ccc(N=Nc2sc3cc(OC)ccc3[n+]2C)cc1.[Cl-]- InChIKey
MRPABYXFRYAUII-UHFFFAOYSA-M- Molecular formula
- C22H29ClN4O3S
- Average molar mass
- 465 g/mol
- Monoisotopic mass
- 464.1648897
Names & identifiers
- Preferred name
- Benzothiazolium, 2-(2-(4-((2,3-dimethoxypropyl)ethylamino)phenyl)diazenyl)-6-methoxy-3-methyl-, chloride (1:1)
- IUPAC
- N-(2,3-dimethoxypropyl)-N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]aniline chloride
- English name
- 2-[[4-[(2,3-dimethoxypropyl)ethylamino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride
- Molecular formula
- C22H29ClN4O3S
- Molecular weight
- 465.00866
Names & synonyms
67326-79-8EINECS 266-642-0DTXSID80886824Benzothiazolium, 2-((4-((2,3-dimethoxypropyl)ethylamino)phenyl)azo)-6-methoxy-3-methyl-, chlorideBenzothiazolium, 2-(2-(4-((2,3-dimethoxypropyl)ethylamino)phenyl)diazenyl)-6-methoxy-3-methyl-, chloride (1:1)Benzothiazolium, 2-[[4-[(2,3-dimethoxypropyl)ethylamino]phenyl]azo]-6-methoxy-3-methyl-, chlorideBenzothiazolium, 2-[2-[4-[(2,3-dimethoxypropyl)ethylamino]phenyl]diazenyl]-6-methoxy-3-methyl-, chloride (1:1)RefChem:118579DTXCID1010261432-({4-[(2,3-dimethoxypropyl)(ethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium chlorideMRPABYXFRYAUII-UHFFFAOYSA-M2-((4-((2,3-Dimethoxypropyl)ethylamino)phenyl)azo)-6-methoxy-3-methylbenzothiazolium chloride
Show more names
2-[[4-[(2,3-dimethoxypropyl)ethylamino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride
NS00054270
Properties
Computed structural properties
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 533
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzothiazolium, 2-[[4-[(2,3-dimethoxypropyl)ethylamino]phenyl]azo]-6-methoxy-3-methyl-, chloride (67326-79-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazolium, 2-[2-[4-[(2,3-dimethoxypropyl)ethylamino]phenyl]diazenyl]-6-methoxy-3-methyl-, chloride (1:1): INACTIVE
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Related reactions
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Compound notes
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