Basic information
- Standard SMILES
CCCCCCCCSc1nc(C(=O)OCC)cs1- InChIKey
YTSRDHDWHGOWKB-UHFFFAOYSA-N- Molecular formula
- C14H23NO2S2
- Average molar mass
- 301.5 g/mol
- Monoisotopic mass
- 301.11702132
Names & identifiers
- Preferred name
- 2-(Octylthio)thiazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-octylsulfanyl-1,3-thiazole-4-carboxylate
Names & synonyms
SCHEMBL9264650YTSRDHDWHGOWKB-UHFFFAOYSA-N2-(octylthio)thiazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 54526865
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 252
Related reactions
2 records
Compound notes
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