Basic information
- Standard SMILES
CC(C)(C#N)c1ccc(C(=O)c2cccs2)cc1- InChIKey
YYDOZZLMLQFHJW-UHFFFAOYSA-N- Molecular formula
- C15H13NOS
- Average molar mass
- 255.3 g/mol
Names & identifiers
- Preferred name
- alpha-Methyl-p-(2-thenoyl)hydratroponitrile
- IUPAC
- 2-methyl-2-[4-(thiophene-2-carbonyl)phenyl]propanenitrile
Names & synonyms
SCHEMBL11703751YYDOZZLMLQFHJW-UHFFFAOYSA-Nalpha-methyl-p-(2-thenoyl)hydratroponitrile
Database identifiers
- PubChem CID
- 21391796
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 360
Related reactions
3 records
Compound notes
Loading…