6,8-Dimethylthieno[2,3-b]quinoline-2-carboxylic acid
Basic information
- CAS
462066-84-8- Standard SMILES
Cc1cc(C)c2nc3sc(C(=O)O)cc3cc2c1- InChIKey
UYSGUMDGPPOZNK-UHFFFAOYSA-N- Molecular formula
- C14H11NO2S
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.05104977
Names & identifiers
- Preferred name
- 6,8-Dimethylthieno[2,3-b]quinoline-2-carboxylic acid
- IUPAC
- 6,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid
- English name
- 6,8-DIMETHYL-THIENO[2,3-B ]QUINOLINE-2-CARBOXYLIC ACID
- Molecular formula
- C14H11NO2S
- Molecular weight
- 257.31
Names & synonyms
6,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid462066-84-86,8-Dimethyl-thieno[2,3-b]quinoline-2-carboxylic acidBAS 02137207DTXSID801220506AKOS000300396DB-107898ST50261124AG-690/408120076,8-dimethylthieno[2,3-b]quinoline-2-carboxylicacid6,8-dimethylthiopheno[2,3-b]quinoline-2-carboxylic acid6,8-DIMETHYL-THIENO[2,3-B ]QUINOLINE-2-CARBOXYLIC ACID
Show more names
Thieno[2,3-b]quinoline-2-carboxylic acid, 6,8-dimethyl-
Database identifiers
- CAS
462066-84-8- PubChem CID
- 865769
- DTXSID
DTXSID801220506
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 502.4 · 502.4±45.0 °C(Predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- pka
- 2.38 · 2.38±0.30(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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