Basic information
- CAS
1491-09-4- Standard SMILES
c1ccc2c(c1)ccc1cc3sc4ccccc4c3nc12- InChIKey
GLEGLXQUFHLTRQ-UHFFFAOYSA-N- Molecular formula
- C19H11NS
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.06122053
Names & identifiers
- Preferred name
- Benzo[h][1]benzothieno[3,2-b]quinoline
- IUPAC
- 10-thia-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
- English name
- Benzo[h][1]benzothieno[3,2-b]quinoline
- Molecular weight
- 0
Names & synonyms
benzo[h][1]benzothieno[3,2-b]quinoline1491-09-4Benzo(h)(1)benzothieno(3,2-b)quinolineBRN 1125291Naphtho(2,1-e)thianaphtheno(3,2-b)pyridineDTXSID4016417010-thia-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
Database identifiers
- CAS
1491-09-4- PubChem CID
- 73889
- DTXSID
DTXSID40164170- Nikkaji
- J35.603D
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Density
- 1.2067 · 1.2067 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
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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