Basic information
- CAS
332099-38-4- Standard SMILES
CCOC(=O)c1cc2sc(Cl)cc2[nH]1- InChIKey
ADPKBRQZJGXOFG-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO2S
- Average molar mass
- 229.68 g/mol
- Monoisotopic mass
- 228.9964274
Names & identifiers
- Preferred name
- Ethyl 2-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate
- IUPAC
- ethyl 2-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate
Names & synonyms
ethyl 2-chloro-4h-thieno[3,2-b]pyrrole-5-carboxylate332099-38-4Ethyl 2-chloro-4H-thieno(3,2-b)pyrrole-5-carboxylateRefChem:342724MFCD09037970SCHEMBL1244756ADPKBRQZJGXOFG-UHFFFAOYSA-NAKOS015936258AS-53558SY239497DB-264919CS-0327778
Show more names
P16668F5348332-Chloro4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester2-Chloro-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
Database identifiers
- CAS
332099-38-4- PubChem CID
- 11629993
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Related reactions
7 records
Compound notes
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