Basic information
- CAS
90070-04-5- Standard SMILES
CC(C)(C)C(=O)Nc1csc(C(=O)O)c1NC(=O)C(C)(C)C- InChIKey
LEHGWOZVQOSQRQ-UHFFFAOYSA-N- Molecular formula
- C15H22N2O4S
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.13002836
Names & identifiers
- Preferred name
- 3,4-Bis(2,2-dimethylpropanamido)thiophene-2-carboxylic acid
- IUPAC
- 3,4-bis(2,2-dimethylpropanoylamino)thiophene-2-carboxylic acid
Names & synonyms
90070-04-5DTXSID905794923,4-Bis(2,2-dimethylpropanamido)thiophene-2-carboxylic acid
Database identifiers
- CAS
90070-04-5- PubChem CID
- 15915519
- DTXSID
DTXSID90579492
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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