Basic information
- Standard SMILES
COC(=O)c1cc(S(=O)(=O)c2ccc(F)c(Br)c2)c(SC)s1- InChIKey
BVXXORIQYVHSIL-UHFFFAOYSA-N- Molecular formula
- C13H10BrFO4S3
- Average molar mass
- 425.3 g/mol
- Monoisotopic mass
- 423.89086
Names & identifiers
- Preferred name
- 4-(3-Bromo-4-fluoro-benzenesulfonyl)-5-methylsulfanyl-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 4-(3-bromo-4-fluorophenyl)sulfonyl-5-methylsulfanylthiophene-2-carboxylate
Names & synonyms
SCHEMBL5840864BVXXORIQYVHSIL-UHFFFAOYSA-N4-(3-Bromo-4-fluoro-benzenesulfonyl)-5-methylsulfanyl-thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 69586594
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 510
Related reactions
2 records
Compound notes
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