1,3-Diphenyl-4H-cyclohepta[c]thiophene
Basic information
- CAS
88656-20-6- Standard SMILES
C1=CCc2c(-c3ccccc3)sc(-c3ccccc3)c2C=C1- InChIKey
ABSWKYPTBSCDLT-UHFFFAOYSA-N- Molecular formula
- C21H16S
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.09727168
Names & identifiers
- Preferred name
- 1,3-Diphenyl-4H-cyclohepta[c]thiophene
- IUPAC
- 1,3-diphenyl-8H-cyclohepta[c]thiophene
Names & synonyms
88656-20-61,3-Diphenyl-4H-cyclohepta[c]thiopheneDTXSID70510823
Database identifiers
- CAS
88656-20-6- PubChem CID
- 12825614
- DTXSID
DTXSID70510823
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…