4-(Butylthio)benzoic acid
4-butylsulfanylbenzoic acid
Also Known As: 4-(butylthio)benzoic acid|4-(n-Butylthio)benzoic acid|4-butylsulfanylbenzoic acid|4-(butylthio)benzoicacid|4-butylsulfanyl-benzoic acid|4-Butylmercapto-benzoesaeure|4-Butylsulphanylbenzoic acid|4-(BUTYLSULFANYL)BENZOIC ACID|J2.096.730G
CAS: 22683-49-4
| Molecular Formula | C11H14O2S |
|---|---|
| Molecular Weight | 210.07146 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.07146 |
| Monoisotopic Mass | 210.07146 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 22683-49-4 |
|---|---|
| SMILES | CCCCSC1=CC=C(C=C1)C(=O)O |
| InChIKey | MBTLMIJJXJIUDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (12 patents)
Organic Building Blocks (13 patents)
Pharmaceutical Intermediates (22 patents)
Specialty Chemicals (12 patents)
Product Overview
4-(Butylthio)benzoic acid (CAS 22683-49-4), with molecular formula C11H14O2S and molecular weight 210.07146 g/mol. IUPAC: 4-butylsulfanylbenzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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