![2-[(3-Methylbutyl)thio]benzoic acid structure](/static/products/1783/17839-63-3.webp)
2-[(3-Methylbutyl)thio]benzoic acid
2-(3-methylbutylsulfanyl)benzoic acid
Also Known As: 2-[(3-methylbutyl)thio]benzoic acid|2-[(3-methylbutyl)sulfanyl]benzoic acid|2-(Isopentylthio)benzoic acid|2-(3-methylbutylsulfanyl)benzoic Acid|2-(Isopentylthio)benzoicacid|2-isopentylsulfanylbenzoic acid|2-Isopentylmercapto-benzoesaeure|2-(3-methylbutylthio)benzoic acid|2-(3-Methylbutyl)thiobenzoic acid|benzoic acid, 2-[(3-methylbutyl)thio]-|2-(3-Methyl-butylsulfanyl)-benzoic acid|NCGC00330338-01|Y-9709|AB01325029-02
CAS: 17839-63-3
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.0871 g/mol |
| LogP | 3.523 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.0871 |
| Monoisotopic Mass | 224.0871 |
| Heavy Atoms | 15 |
| Complexity | 334.14893 |
Chemical Identifiers
| CAS Number | 17839-63-3 |
|---|---|
| SMILES | CC(C)CCSC1=CC=CC=C1C(=O)O |
Product Overview
2-[(3-Methylbutyl)thio]benzoic acid (CAS 17839-63-3), with molecular formula C12H16O2S and molecular weight 224.0871 g/mol. IUPAC: 2-(3-methylbutylsulfanyl)benzoic 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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