Basic information
- CAS
690990-60-4- Standard SMILES
Cc1sc(C(=O)O)c(-n2c(C)ccc2C)c1C- InChIKey
FJEQPPDVCVKRQF-UHFFFAOYSA-N- Molecular formula
- C13H15NO2S
- Average molar mass
- 249.33 g/mol
- Monoisotopic mass
- 249.08234989
Names & identifiers
- Preferred name
- 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid
- IUPAC
- 3-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid
- English name
- 3-(2,5-Dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid
- Molecular formula
- C13H15NO2S
- Molecular weight
- 249.33
Names & synonyms
3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid690990-60-4DTXSID50353811RefChem:273453DTXCID603048743-(2,5-dimethylpyrrolyl)-4,5-dimethylthiophene-2-carboxylic acid3-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acidAN-648/25106048MFCD03001418SBB100610STL254138AKOS002341970
Show more names
CHEMBRDG-BB 73537023-(2,5-DIMETHYL-PYRROL-1-YL)-4,5-DIMETHYL-THIOPHENE-2-CARBOXYLIC ACID2-Thiophenecarboxylic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-
EU-0048682ST510120013-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-2-carboxylic acid
Database identifiers
- CAS
690990-60-4- PubChem CID
- 754331
- DTXSID
DTXSID50353811
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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