Basic information
- Standard SMILES
CCOC(=O)c1nnc(-c2ccc(SC)cc2)o1- InChIKey
YCEIDTOBAAOFIE-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3S
- Average molar mass
- 264.3 g/mol
Names & identifiers
- Preferred name
- 2-Ethoxycarbonyl-5-(4-methylthiophenyl)-1,3,4-oxadiazole
- IUPAC
- ethyl 5-(4-methylsulfanylphenyl)-1,3,4-oxadiazole-2-carboxylate
Names & synonyms
SCHEMBL326844YCEIDTOBAAOFIE-UHFFFAOYSA-N2-ethoxycarbonyl-5-(4-methylthiophenyl)-1,3,4-oxadiazole
Database identifiers
- PubChem CID
- 54500657
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Related reactions
1 records
Compound notes
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