Basic information
- Standard SMILES
Br.COc1ccc(C(=O)CSC(C)=N)cc1- InChIKey
YOKRSUBAWGQZCY-UHFFFAOYSA-N- Molecular formula
- C11H14BrNO2S
- Average molar mass
- 304.21 g/mol
Names & identifiers
- Preferred name
- Thioacetimidic acid 2-(4-methoxyphenyl)-2-oxoethyl ester hydrobromide
- IUPAC
- [2-(4-methoxyphenyl)-2-oxoethyl] ethanimidothioate;hydrobromide
Names & synonyms
SCHEMBL3039088YOKRSUBAWGQZCY-UHFFFAOYSA-Nthioacetimidic acid 2-(4-methoxyphenyl)-2-oxoethyl ester hydrobromide
Database identifiers
- PubChem CID
- 68489019
Properties
Computed structural properties
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 235
Related reactions
3 records
Compound notes
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