[1]Benzothieno[2,3-b]quinoxaline
Basic information
- CAS
243-69-6- Standard SMILES
c1ccc2nc3c(nc2c1)sc1ccccc13- InChIKey
YJJGTGWWLRKTAI-UHFFFAOYSA-N- Molecular formula
- C14H8N2S
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 236.04081944
Names & identifiers
- Preferred name
- [1]Benzothieno[2,3-b]quinoxaline
- IUPAC
- [1]benzothiolo[3,2-b]quinoxaline
- English name
- Benzothieno[2,3-B]quinoxaline
- Molecular formula
- C14H8N2S
- Molecular weight
- 236.29
Names & synonyms
243-69-6benzothieno[2,3-b]quinoxaline[1]Benzothieno[2,3-b]quinoxalineBenzo[4,5]thieno[2,3-b]quinoxaline[1]benzothiolo[3,2-b]quinoxalineBenzo[45]thieno[23-b]quinoxaline17-THIA-2,9-DIAZATETRACYCLO[8.7.0.0(3),?.0(1)(1),(1)?]HEPTADECA-1(10),2,4,6,8,11(16),12,14-OCTAENENSC129364CHEMBL1995276SCHEMBL17796030benzothiopheno[3,2-b]quinoxalineDTXSID70299303
Show more names
AKOS028108656NSC-129364AS-59666DB-197826A11113F795024
Database identifiers
- CAS
243-69-6- PubChem CID
- 279101
- DTXSID
DTXSID70299303- ChEMBL
CHEMBL1995276- Nikkaji
- J918.570D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 166 · 166-167 °C
- Boiling point
- 459.179 · 459.179±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.409 · 1.409±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.09 · 1.090±0.30(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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