Basic information
- CAS
88113-95-5- Standard SMILES
N#CCc1cccc2sc3ccccc3c12- InChIKey
NUDWQHOUNXOJEC-UHFFFAOYSA-N- Molecular formula
- C14H9NS
- Average molar mass
- 223.29 g/mol
- Monoisotopic mass
- 223.04557046
Names & identifiers
- Preferred name
- (Dibenzo[b,d]thiophen-1-yl)acetonitrile
- IUPAC
- 2-dibenzothiophen-1-ylacetonitrile
Names & synonyms
88113-95-5(Dibenzo[b,d]thiophen-1-yl)acetonitrileDTXSID90520242
Database identifiers
- CAS
88113-95-5- PubChem CID
- 13128331
- DTXSID
DTXSID90520242
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…