Basic information
- CAS
39951-80-9- Standard SMILES
O=C1c2ccccc2C(=O)N1Cc1cc(CN2C(=O)c3ccccc3C2=O)c(O)c(-c2nc3ccccc3s2)c1- InChIKey
XSHSFYWQOREZSK-UHFFFAOYSA-N- Molecular formula
- C31H19N3O5S
- Average molar mass
- 545.6 g/mol
- Monoisotopic mass
- 545.10454189
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 2,2'-[[5-(2-benzothiazolyl)-4-hydroxy-1,3-phenylene]bis(methylene)]bis-
- IUPAC
- 2-[[3-(1,3-benzothiazol-2-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyphenyl]methyl]isoindole-1,3-dione
- English name
- N,N'-[[5-(benzothiazol-2-yl)-4-hydroxy-1,3-phenylene]bis(methylene)]bisphthalimide
- Molecular formula
- C31H19N3O5S
- Molecular weight
- 545.56
Names & synonyms
EINECS 254-714-41H-Isoindole-1,3(2H)-dione, 2,2'-[[5-(2-benzothiazolyl)-4-hydroxy-1,3-phenylene]bis(methylene)]bis-DTXSID508857882-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole1H-Isoindole-1,3(2H)-dione, 2,2'-((5-(2-benzothiazolyl)-4-hydroxy-1,3-phenylene)bis(methylene))bis-RefChem:438796DTXCID20102515039951-80-9SCHEMBL5974016XSHSFYWQOREZSK-UHFFFAOYSA-NNS00057758N,N'-((5-(Benzothiazol-2-yl)-4-hydroxy-1,3-phenylene)bis(methylene))bisphthalimide
Show more names
N,N'-[[5-(benzothiazol-2-yl)-4-hydroxy-1,3-phenylene]bis(methylene)]bisphthalimide2,2'-[[5-(2-Benzothiazolyl)-4-hydroxy-1,3-phenylene]bismethylene]bis(1H-isoindole-1,3(2H)-dione)
2,2'-{[5-(1,3-Benzothiazol-2-yl)-4-hydroxy-1,3-phenylene]bis(methylene)}di(1H-isoindole-1,3(2H)-dione)
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- EPA Substance Registry System
- 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2,2'-[[5-(2-benzothiazolyl)-4-hydroxy-1,3-phenylene]bis(methylene)]bis- (39951-80-9)
- 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'-[[5-(2-benzothiazolyl)-4-hydroxy-1,3-phenylene]bis(methylene)]bis-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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