3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione
Basic information
- CAS
66312-06-9- Standard SMILES
Cc1ccc(C2=C(Cl)C(=O)NC2=O)s1- InChIKey
JRZNSGJKGWAVQK-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO2S
- Average molar mass
- 227.67 g/mol
- Monoisotopic mass
- 226.9807773
Names & identifiers
- Preferred name
- 3-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dione
- IUPAC
- 3-chloro-4-(5-methylthiophen-2-yl)pyrrole-2,5-dione
Names & synonyms
66312-06-9NSC304706DTXSID603165783-Chloro-4-(5-methylthiophen-2-yl)-1H-pyrrole-2,5-dioneNSC-304706DS-0030321H-PYRROLE-2,5-DIONE,3-CHLORO-4-(5-METHYL-2-THIENYL)-
Database identifiers
- CAS
66312-06-9- PubChem CID
- 327897
- DTXSID
DTXSID60316578
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…