(1)Benzothieno(3,2-b)quinoline
Basic information
- CAS
243-68-5- Standard SMILES
c1ccc2nc3c(cc2c1)sc1ccccc13- InChIKey
XCXCAIVVLIUTPJ-UHFFFAOYSA-N- Molecular formula
- C15H9NS
- Average molar mass
- 235.31 g/mol
- Monoisotopic mass
- 235.04557046
Names & identifiers
- Preferred name
- (1)Benzothieno(3,2-b)quinoline
- IUPAC
- [1]benzothiolo[3,2-b]quinoline
- English name
- [1]benzothieno[3,2-b]quinoline
- Molecular formula
- C15H9NS
- Molecular weight
- 235.3
Names & synonyms
[1]benzothieno[3,2-b]quinoline243-68-5DTXSID70356667(1)Benzothieno(3,2-b)quinolineRefChem:203894DTXCID80307726668-423-9Benzo[4,5]thieno[3,2-b]quinolineSCHEMBL11709984AKOS024328504AE-848/36047024
Database identifiers
- CAS
243-68-5- PubChem CID
- 828263
- DTXSID
DTXSID70356667- EC Number
- 668-423-9
- Nikkaji
- J1.374.666D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 172 · 172-173 °C
- Boiling point
- 444.5 · 444.5±18.0 °C(Predicted)
- Density
- 1.348 · 1.348±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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