Basic information
- CAS
84548-74-3- Standard SMILES
c1ccc2c(c1)cc1ccc3scc4ccc2c1c43- InChIKey
NWJOUMRGNOOYFF-UHFFFAOYSA-N- Molecular formula
- C18H10S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.05032149
Names & identifiers
- Preferred name
- Benzo(5,6)phenaleno(1,9-bc)thiophene
- IUPAC
- 13-thiapentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-1(18),2,4,6,8,10,12(19),14,16-nonaene
Names & synonyms
Benzo(5,6)phenaleno(1,9-bc)thiopheneBenzo[4,5]phenaleno[1,9]bc]thiophene84548-74-3Benzo[5,6]phenaleno[1,9-bc]thiopheneDTXSID10233544NWJOUMRGNOOYFF-UHFFFAOYSA-N
Database identifiers
- CAS
84548-74-3- PubChem CID
- 174372
- DTXSID
DTXSID10233544
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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