1-(2,6-Dimethylphenyl)-3-ethyl-2-thioxo-4,5-imidazolidinedione
Basic information
- Standard SMILES
CCN1C(=O)C(=O)N(c2c(C)cccc2C)C1=S- InChIKey
VGXYSCFDWZHSOT-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2S
- Average molar mass
- 262.33 g/mol
- Monoisotopic mass
- 262.07759887
Names & identifiers
- Preferred name
- 1-(2,6-Dimethylphenyl)-3-ethyl-2-thioxo-4,5-imidazolidinedione
- IUPAC
- 1-(2,6-dimethylphenyl)-3-ethyl-2-sulfanylideneimidazolidine-4,5-dione
Names & synonyms
CHEMBL162462SCHEMBL6097897VGXYSCFDWZHSOT-UHFFFAOYSA-N1-(2,6-Dimethylphenyl)-3-ethyl-2-thioxo-4,5-imidazolidinedione
Database identifiers
- PubChem CID
- 11277014
- ChEMBL
CHEMBL162462
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 386
Related reactions
1 records
Compound notes
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