Basic information
- Standard SMILES
COC(=O)c1[nH]c2c(Br)csc2c1I- InChIKey
GBPFKXHMSUUOHL-UHFFFAOYSA-N- Molecular formula
- C8H5BrINO2S
- Average molar mass
- 386.01 g/mol
Names & identifiers
- Preferred name
- 3-bromo-6-iodo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid methyl ester
- IUPAC
- methyl 3-bromo-6-iodo-4H-thieno[3,2-b]pyrrole-5-carboxylate
Names & synonyms
3-bromo-6-iodo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid methyl esterSCHEMBL1994605GBPFKXHMSUUOHL-UHFFFAOYSA-N1312547-88-8DB-356871
Database identifiers
- PubChem CID
- 58310401
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 255
Related reactions
3 records
Compound notes
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