2-Pyrrolidinone, 1-(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)-
Basic information
- CAS
120164-97-8- Standard SMILES
Cc1c(O)c(C)c2sc(N3CCCC3=O)nc2c1C- InChIKey
DHCXDJXURVPGMP-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2S
- Average molar mass
- 276.36 g/mol
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 1-(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)-
- IUPAC
- 1-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyrrolidin-2-one
- English name
- 2-Pyrrolidinone, 1-(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)-
- Molecular formula
- C14H16N2O2S
- Molecular weight
- 276.35
Names & synonyms
120164-97-8SCHEMBL106475962-Pyrrolidinone, 1-(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)-1-(6-HYDROXY-4,5,7-TRIMETHYL-1,3-BENZOTHIAZOL-2-YL)PYRROLIDIN-2-ONE2-Pyrrolidinone, 1-(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)-
Database identifiers
- CAS
120164-97-8
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Melting point
- 215 · 215-220 °C
- Boiling point
- 458.3 · 458.3±37.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- pka
- 9.15 · 9.15±0.50(Predicted)
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Compound notes
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