Basic information
- CAS
2203-01-2- Standard SMILES
CCN(CCN1C(=O)c2ccccc2C1=O)c1ccc(N=Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)c1- InChIKey
YBURDRPVRFXIBD-UHFFFAOYSA-N- Molecular formula
- C27H25N5O4S2
- Average molar mass
- 547.7 g/mol
- Monoisotopic mass
- 547.13479664
Names & identifiers
- Preferred name
- N-(2-(N-Ethyl-4-((6-(methylsulphonyl)benzothiazol-2-yl)azo)-m-toluidino)ethyl)phthalimide
- IUPAC
- 2-[2-[N-ethyl-3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl]isoindole-1,3-dione
- English name
- N-[2-[N-ethyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]-m-toluidino]ethyl]phthalimide
- Molecular formula
- C27H25N5O4S2
- Molecular weight
- 547.65
Names & synonyms
2203-01-21H-Isoindole-1,3(2H)-dione, 2-(2-(ethyl(3-methyl-4-((6-(methylsulfonyl)-2-benzothiazolyl)azo)phenyl)amino)ethyl)-1H-Isoindole-1,3(2H)-dione, 2-[2-[ethyl[3-methyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]ethyl]-1H-Isoindole-1,3(2H)-dione, 2-(2-(ethyl(3-methyl-4-(2-(6-(methylsulfonyl)-2-benzothiazolyl)diazenyl)phenyl)amino)ethyl)-1H-Isoindole-1,3(2H)-dione, 2-[2-[ethyl[3-methyl-4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]ethyl]-EINECS 218-611-8N-(2-(N-Ethyl-4-((6-(methylsulphonyl)benzothiazol-2-yl)azo)-m-toluidino)ethyl)phthalimide2-[2-[N-ethyl-3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl]isoindole-1,3-dioneDTXSID7062249YBURDRPVRFXIBD-UHFFFAOYSA-NX8J79W4X67NS00048837
Show more names
N-[2-[N-ethyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]-m-toluidino]ethyl]phthalimideN-[2-[N-Ethyl-3-methyl-4-[[6-(methylsulfonyl)benzothiazol-2-yl]azo]anilino]ethyl]phthalimide
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 993
Physicochemical properties
- Boiling point
- 776.282 · 776.282±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.417 · 1.417±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.785 · 2.785±0.50(predicted)
- EPA Substance Registry System
- 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-[2-[ethyl[3-methyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]ethyl]- (2203-01-2)
- 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 Information1H-Isoindole-1,3(2H)-dione, 2-[2-[ethyl[3-methyl-4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]ethyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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