2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester
Basic information
- CAS
36050-28-9- Standard SMILES
CC(C)(C)Cc1ccc(OC(=O)c2cccs2)cc1- InChIKey
UXMAVLSBKNCNBU-UHFFFAOYSA-N- Molecular formula
- C16H18O2S
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.10275099
Names & identifiers
- Preferred name
- 2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester
- IUPAC
- [4-(2,2-dimethylpropyl)phenyl] thiophene-2-carboxylate
Names & synonyms
alpha-Thenoate tert-amylphenol [French]alpha-Thenoate tert-amylphenol2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester36050-28-94-(2,2-Dimethylpropyl)phenyl 2-thiophenecarboxylateDTXSID50189612RefChem:267356DTXCID101121034-(2,2-dimethylpropyl)phenyl thiophene-2-carboxylate
Database identifiers
- CAS
36050-28-9- PubChem CID
- 215657
- DTXSID
DTXSID50189612
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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