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Basic information
- Standard SMILES
CC(C)Sc1ccc(-c2csc(C(=O)O)c2)cc1- InChIKey
CEFIOPIKETUEEO-UHFFFAOYSA-N- Molecular formula
- C14H14O2S2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.04352203
Names & identifiers
- Preferred name
- 4-(4-(Isopropylthio)phenyl)thiophene-2-carboxylic acid
- IUPAC
- 4-(4-propan-2-ylsulfanylphenyl)thiophene-2-carboxylic acid
Names & synonyms
4-(4-(isopropylthio)phenyl)thiophene-2-carboxylic acid1233389-74-6SCHEMBL2492675CEFIOPIKETUEEO-UHFFFAOYSA-NDB-366810
Database identifiers
- PubChem CID
- 59409752
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Related reactions
4 records
Compound notes
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