3-[(Dimethylamino)methylidene]-1-benzothiophen-2(3H)-one
Basic information
- CAS
56429-30-2- Standard SMILES
CN(C)C=C1C(=O)Sc2ccccc21- InChIKey
MMOBYZFFYXQSAQ-UHFFFAOYSA-N- Molecular formula
- C11H11NOS
- Average molar mass
- 205.28 g/mol
- Monoisotopic mass
- 205.05613515
Names & identifiers
- Preferred name
- 3-[(Dimethylamino)methylidene]-1-benzothiophen-2(3H)-one
- IUPAC
- 3-(dimethylaminomethylidene)-1-benzothiophen-2-one
Names & synonyms
56429-30-23-[(Dimethylamino)methylidene]-1-benzothiophen-2(3H)-oneDTXSID408534563-(N,N-dimethylaminomethylene)-2(3h)-benzothiophenone
Database identifiers
- CAS
56429-30-2- PubChem CID
- 71444697
- DTXSID
DTXSID40853456
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 272
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…