2-(2,6-Dimethylphenyl)sulfinyl-5-methyl-1,3,4-oxadiazole
Basic information
- Standard SMILES
Cc1nnc(S(=O)c2c(C)cccc2C)o1- InChIKey
UBAGQTNRJHRLNR-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2S
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 236.0619488
Names & identifiers
- Preferred name
- 2-(2,6-Dimethylphenyl)sulfinyl-5-methyl-1,3,4-oxadiazole
- IUPAC
- 2-(2,6-dimethylphenyl)sulfinyl-5-methyl-1,3,4-oxadiazole
Names & synonyms
CHEMBL90905SCHEMBL8830122UBAGQTNRJHRLNR-UHFFFAOYSA-N2-(2,6-dimethylphenyl)sulfinyl-5-methyl-1,3,4-oxadiazole
Database identifiers
- PubChem CID
- 22909644
- ChEMBL
CHEMBL90905
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Related reactions
2 records
Compound notes
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