1H-Isoindole-1,3(2H)-dione, 2-[2-[[3-methyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]ethyl]-
Basic information
- CAS
63467-13-0- Standard SMILES
Cc1cc(NCCN2C(=O)c3ccccc3C2=O)ccc1N=Nc1nc2ccc(S(C)(=O)=O)cc2s1- InChIKey
GBVCFNGCJAGIKC-UHFFFAOYSA-N- Molecular formula
- C25H21N5O4S2
- Average molar mass
- 519.6 g/mol
- Monoisotopic mass
- 519.10349652
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 2-[2-[[3-methyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]ethyl]-
- IUPAC
- 2-[2-[3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl]isoindole-1,3-dione
- English name
- N-[2-[[3-methyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]ethyl]phthalimide
- Molecular formula
- C25H21N5O4S2
- Molecular weight
- 519.6
Names & synonyms
63467-13-01H-Isoindole-1,3(2H)-dione, 2-[2-[[3-methyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]ethyl]-1H-Isoindole-1,3(2H)-dione, 2-(2-((3-methyl-4-((6-(methylsulfonyl)-2-benzothiazolyl)azo)phenyl)amino)ethyl)-1H-Isoindole-1,3(2H)-dione, 2-(2-((3-methyl-4-(2-(6-(methylsulfonyl)-2-benzothiazolyl)diazenyl)phenyl)amino)ethyl)-EINECS 264-225-81H-Isoindole-1,3(2H)-dione, 2-[2-[[3-methyl-4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]ethyl]-M5FLY4P5CZN-(2-((3-Methyl-4-((6-(methylsulphonyl)benzothiazol-2-yl)azo)phenyl)amino)ethyl)phthalimideDTXSID7069869GBVCFNGCJAGIKC-UHFFFAOYSA-NDB-308899NS00035465
Show more names
N-[2-[[3-methyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]ethyl]phthalimide2-[2-[[3-Methyl-4-[[6-(methylsulfonyl)benzothiazol-2-yl]azo]phenyl]amino]ethyl]-1H-isoindole-1,3(2H)-dione
2-[2-(4-{[6-(Methanesulfonyl)-1,3-benzothiazol-2-yl]diazenyl}-3-methylanilino)ethyl]-1H-isoindole-1,3(2H)-dione2-[2-[[3-Methyl-4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]ethyl]-1H-isoindole-1,3(2H)-dioneN-[2-[[3-methyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl ]azo]phenyl ]amino]ethyl ]phthalimide
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 946
Physicochemical properties
- Boiling point
- 782 · 782.0±70.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 0.75 · 0.75±0.50(Predicted)
- EPA Substance Registry System
- 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-[2-[[3-methyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]ethyl]- (63467-13-0)
- 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-[[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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