Basic information
- Standard SMILES
C=CCOc1cc(Br)cc(S(=O)(=O)c2cc(C(=O)OC)sc2SC)c1- InChIKey
OEDQBXCSNMERBA-UHFFFAOYSA-N- Molecular formula
- C16H15BrO5S3
- Average molar mass
- 463.4 g/mol
Names & identifiers
- Preferred name
- 4-(3-Allyloxy-5-bromo-benzenesulfonyl)-5-methylsulfanyl-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 4-(3-bromo-5-prop-2-enoxyphenyl)sulfonyl-5-methylsulfanylthiophene-2-carboxylate
Names & synonyms
SCHEMBL5841360OEDQBXCSNMERBA-UHFFFAOYSA-N4-(3-Allyloxy-5-bromo-benzenesulfonyl)-5-methylsulfanyl-thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 69586746
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 577
Related reactions
4 records
Compound notes
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