Basic information
- Standard SMILES
CCOc1nsc(N)c1C#N- InChIKey
CIMZRASMXMMDPA-UHFFFAOYSA-N- Molecular formula
- C6H7N3OS
- Average molar mass
- 169.21 g/mol
- Monoisotopic mass
- 169.03098303
Names & identifiers
- Preferred name
- 5-Amino-4-cyano-3-ethoxyisothiazole
- IUPAC
- 5-amino-3-ethoxy-1,2-thiazole-4-carbonitrile
Names & synonyms
SCHEMBL11710459CIMZRASMXMMDPA-UHFFFAOYSA-N5-amino-4-cyano-3-ethoxyisothiazole
Database identifiers
- PubChem CID
- 21396819
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 178
Related reactions
3 records
Compound notes
Loading…