2-Butylsulphanyl-5-thiophenecarboxylic acid
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Basic information
- Standard SMILES
CCCCSc1ccc(C(=O)O)s1- InChIKey
NFGJMNQNMAVIGH-UHFFFAOYSA-N- Molecular formula
- C9H12O2S2
- Average molar mass
- 216.3 g/mol
Names & identifiers
- Preferred name
- 2-Butylsulphanyl-5-thiophenecarboxylic acid
- IUPAC
- 5-butylsulfanylthiophene-2-carboxylic acid
Names & synonyms
SCHEMBL8380208NFGJMNQNMAVIGH-UHFFFAOYSA-NAKOS0026647632-Butylsulphanyl-5-thiophenecarboxylic acid
Database identifiers
- PubChem CID
- 4739239
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Related reactions
1 records
Compound notes
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