Basic information
- CAS
54688-96-9- Standard SMILES
CC(=C(C#N)C(N)=O)c1cccs1- InChIKey
NXFBBUGKNUJZMJ-UHFFFAOYSA-N- Molecular formula
- C9H8N2OS
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.03573406
Names & identifiers
- Preferred name
- 2-Cyano-3-(2-thienyl)-2-butenamide
- IUPAC
- 2-cyano-3-thiophen-2-ylbut-2-enamide
Names & synonyms
2-Cyano-3-(2-thienyl)-2-butenamideOprea1_357849DTXSID20129639154688-96-92-Cyano-3-(thiophen-2-yl)but-2-enamide
Database identifiers
- CAS
54688-96-9- PubChem CID
- 4052017
- DTXSID
DTXSID201296391
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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