Basic information
- CAS
4610-73-5- Standard SMILES
CCC(=O)N(C)C=C1Sc2ccccc2C1=O- InChIKey
GRUBXNOZRDXRIR-UHFFFAOYSA-N- Molecular formula
- C13H13NO2S
- Average molar mass
- 247.31 g/mol
- Monoisotopic mass
- 247.06669983
Names & identifiers
- Preferred name
- N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide
- IUPAC
- N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide
Names & synonyms
4610-73-5N-Methyl-N-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]propanamideN-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamideChemDiv1_004284DTXSID60411512Q27212728
Database identifiers
- CAS
4610-73-5- PubChem CID
- 5227101
- DTXSID
DTXSID60411512
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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