Basic information
- CAS
887586-00-7- Standard SMILES
COC(=O)c1scc(Br)c1SC- InChIKey
JNQJYUXGYNJILI-UHFFFAOYSA-N- Molecular formula
- C7H7BrO2S2
- Average molar mass
- 267.2 g/mol
- Monoisotopic mass
- 265.90708
Names & identifiers
- Preferred name
- Methyl 4-bromo-3-(methylsulfanyl)thiophene-2-carboxylate
- IUPAC
- methyl 4-bromo-3-methylsulfanylthiophene-2-carboxylate
Names & synonyms
887586-00-7methyl 4-bromo-3-(methylsulfanyl)thiophene-2-carboxylateMethyl 4-bromo-3-(methylthio)thiophene-2-carboxylateMethyl 4-bromo-3-(methylthio)-2-thiophenecarboxylatemethyl 4-bromo-3-methylsulfanylthiophene-2-carboxylateDTXSID901218245AP-836/41220404
Database identifiers
- CAS
887586-00-7- PubChem CID
- 820698
- DTXSID
DTXSID901218245
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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