Basic information
- CAS
51925-46-3- Standard SMILES
COC(=O)c1cc2cc3ccccc3nc2s1- InChIKey
HYPKQSDYYFWMCN-UHFFFAOYSA-N- Molecular formula
- C13H9NO2S
- Average molar mass
- 243.28 g/mol
- Monoisotopic mass
- 243.0353997
Names & identifiers
- Preferred name
- Methyl thieno[2,3-b]quinoline-2-carboxylate
- IUPAC
- methyl thieno[2,3-b]quinoline-2-carboxylate
- English name
- Methyl thieno[2,3-b]quinoline-2-carboxylate
- Molecular formula
- C13H9NO2S
- Molecular weight
- 243.28
Names & synonyms
methyl thieno[2,3-b]quinoline-2-carboxylate51925-46-3MFCD02571218DTXSID20358994STK552576AKOS005144503NCGC00339499-01methylthieno[2,3-b]quinoline-2-carboxylateCS-0319923AB01332552-026R-1168Thieno[2,3-b]quinoline-2-carboxylic acid, methyl ester
Database identifiers
- CAS
51925-46-3- PubChem CID
- 930373
- DTXSID
DTXSID20358994- Nikkaji
- J2.546.082K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 240 · 240-243 °C(Solv: ethanol (64-17-5); 1,4-dioxane (123-91-1))
- Boiling point
- 417 · 417.0±25.0 °C(Predicted)
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- pka
- 3.05 · 3.05±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
Ryan Scientific, Inc.[email protected]
Interbioscreen Ltd.[email protected]
A.J Chemicals[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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