Basic information
- Standard SMILES
CCCCCSc1cc(C(=O)O)cc(N)c1Oc1ccccc1- InChIKey
PZQMCVRXAPRZKW-UHFFFAOYSA-N- Molecular formula
- C18H21NO3S
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.12421471
Names & identifiers
- Preferred name
- 5-Amino-3-n-pentylthio-4-phenoxybenzoic acid
- IUPAC
- 3-amino-5-pentylsulfanyl-4-phenoxybenzoic acid
Names & synonyms
PZQMCVRXAPRZKW-UHFFFAOYSA-N5-Amino-3-n-pentylthio-4-phenoxybenzoic acid
Database identifiers
- PubChem CID
- 54216635
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 360
Related reactions
3 records
Compound notes
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