Basic information
- Standard SMILES
CCc1sc(N)c(C#N)c1C- InChIKey
BEEUCSAIUSFOLR-UHFFFAOYSA-N- Molecular formula
- C8H10N2S
- Average molar mass
- 166.25 g/mol
Names & identifiers
- Preferred name
- 2-Amino-5-ethyl-4-methylthiophene-3-carbonitrile
- IUPAC
- 2-amino-5-ethyl-4-methylthiophene-3-carbonitrile
Names & synonyms
2-amino-5-ethyl-4-methylthiophene-3-carbonitrileSCHEMBL1621985BEEUCSAIUSFOLR-UHFFFAOYSA-NAKOS000111633
Database identifiers
- PubChem CID
- 20186643
- Nikkaji
- J2.989.046C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 184
Related reactions
5 records
Linked notes
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