Completing data — refresh the page later to see the latest
Basic information
- CAS
76100-20-4- Standard SMILES
O=Cc1ccc(Sc2ccccc2)s1- InChIKey
KZQXOSNRJVXWEB-UHFFFAOYSA-N- Molecular formula
- C11H8OS2
- Average molar mass
- 220.3 g/mol
- Monoisotopic mass
- 220.00165688
Names & identifiers
- Preferred name
- 5-(Phenylsulfanyl)thiophene-2-carbaldehyde
- IUPAC
- 5-phenylsulfanylthiophene-2-carbaldehyde
Names & synonyms
76100-20-45-(Phenylsulfanyl)thiophene-2-carbaldehydeSCHEMBL9373023DTXSID10505298KZQXOSNRJVXWEB-UHFFFAOYSA-N5-(Phenylthio)thiophene-2-aldehyde
Database identifiers
- CAS
76100-20-4- PubChem CID
- 12639734
- DTXSID
DTXSID10505298
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Related reactions
2 records
Compound notes
Loading…