Basic information
- Standard SMILES
CCC#CCOc1ccc(SCC(=O)OCC)cc1- InChIKey
HEVBTJQZBCJRMW-UHFFFAOYSA-N- Molecular formula
- C15H18O3S
- Average molar mass
- 278.4 g/mol
Names & identifiers
- Preferred name
- (4-Pent-2-ynyloxy-phenylsulfanyl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-(4-pent-2-ynoxyphenyl)sulfanylacetate
Names & synonyms
SCHEMBL6265977HEVBTJQZBCJRMW-UHFFFAOYSA-N(4-Pent-2-ynyloxy-phenylsulfanyl)-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 11288950
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
3 records
Compound notes
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