Ethyl 5-amino-4-cyanothiophene-3-carboxylate
Basic information
- CAS
59142-21-1- Standard SMILES
CCOC(=O)c1csc(N)c1C#N- InChIKey
XVIVWHFHUYKSFP-UHFFFAOYSA-N- Molecular formula
- C8H8N2O2S
- Average molar mass
- 196.23 g/mol
- Monoisotopic mass
- 196.03064868
Names & identifiers
- Preferred name
- Ethyl 5-amino-4-cyanothiophene-3-carboxylate
- IUPAC
- ethyl 5-amino-4-cyanothiophene-3-carboxylate
Names & synonyms
ethyl 5-amino-4-cyanothiophene-3-carboxylate59142-21-1ethyl 5-amino-4-cyano-3-thiophenecarboxylateSCHEMBL4719659DTXSID301257948DB-187481G88132
Database identifiers
- CAS
59142-21-1- PubChem CID
- 4517992
- DTXSID
DTXSID301257948
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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