2-Ethyl 4-methyl 3-aminothiophene-2,4-dicarboxylate
Basic information
- CAS
102123-29-5- Standard SMILES
CCOC(=O)c1scc(C(=O)OC)c1N- InChIKey
BCYSWEWQJACNDT-UHFFFAOYSA-N- Molecular formula
- C9H11NO4S
- Average molar mass
- 229.26 g/mol
- Monoisotopic mass
- 229.04087901
Names & identifiers
- Preferred name
- 2-Ethyl 4-methyl 3-aminothiophene-2,4-dicarboxylate
- IUPAC
- 2-O-ethyl 4-O-methyl 3-aminothiophene-2,4-dicarboxylate
Names & synonyms
DTXSID4011699562-Ethyl 4-methyl 3-aminothiophene-2,4-dicarboxylate2,4-Thiophenedicarboxylic acid, 3-amino-, 2-ethyl 4-methyl ester102123-29-5
Database identifiers
- CAS
102123-29-5- PubChem CID
- 85529708
- DTXSID
DTXSID401169956
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
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Compound notes
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