Methyl 3,5-dimethylthiophene-2-carboxylate
Basic information
- CAS
57041-28-8- Standard SMILES
COC(=O)c1sc(C)cc1C- InChIKey
ATJHYKAQHBXBHM-UHFFFAOYSA-N- Molecular formula
- C8H10O2S
- Average molar mass
- 170.23 g/mol
- Monoisotopic mass
- 170.04015073
Names & identifiers
- Preferred name
- Methyl 3,5-dimethylthiophene-2-carboxylate
- IUPAC
- methyl 3,5-dimethylthiophene-2-carboxylate
Names & synonyms
methyl 3,5-dimethylthiophene-2-carboxylate57041-28-82-Thiophenecarboxylic acid, 3,5-dimethyl-, methyl esterSCHEMBL2027674DTXSID00603459ATJHYKAQHBXBHM-UHFFFAOYSA-NDB-3862173,5-dimethyl-thiophene-2-carboxylic acid methyl ester
Database identifiers
- CAS
57041-28-8- PubChem CID
- 20201092
- DTXSID
DTXSID00603459
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
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Related reactions
2 records
Compound notes
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