Basic information
- Standard SMILES
CCOC(=O)CCSc1ccc(Br)cc1- InChIKey
MXPQEFPACYUTAC-UHFFFAOYSA-N- Molecular formula
- C11H13BrO2S
- Average molar mass
- 289.19 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(4-bromophenylthio)propionate
- IUPAC
- ethyl 3-(4-bromophenyl)sulfanylpropanoate
Names & synonyms
Ethyl 3-(4-bromophenylthio)propionateSCHEMBL7651344MXPQEFPACYUTAC-UHFFFAOYSA-NAKOS009029344Ethyl 3-(4-bromophenylthio)proprionate
Database identifiers
- PubChem CID
- 15064009
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Related reactions
8 records
Compound notes
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