2-(2-Thiophen-2-ylethyl)-2-(thiophen-2-ylmethyl)propanedioic acid
Basic information
- CAS
4543-44-6- Standard SMILES
O=C(O)C(CCc1cccs1)(Cc1cccs1)C(=O)O- InChIKey
WEAUCVFPKRMPMP-UHFFFAOYSA-N- Molecular formula
- C14H14O4S2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.03335127
Names & identifiers
- Preferred name
- 2-(2-Thiophen-2-ylethyl)-2-(thiophen-2-ylmethyl)propanedioic acid
- IUPAC
- 2-(2-thiophen-2-ylethyl)-2-(thiophen-2-ylmethyl)propanedioic acid
Names & synonyms
4543-44-6NSC39232DTXSID00963383NSC-39232[2-(Thiophen-2-yl)ethyl][(thiophen-2-yl)methyl]propanedioic acid
Database identifiers
- CAS
4543-44-6- PubChem CID
- 236608
- DTXSID
DTXSID00963383
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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