2-(Isopropylthio)benzoic acid
2-propan-2-ylsulfanylbenzoic acid
Also Known As: 2-(isopropylthio)benzoic acid|2-(Isopropylsulfanyl)benzoic acid|2-(propan-2-ylsulfanyl)benzoic acid|2-propan-2-ylsulfanylbenzoic Acid|ACMC-209jk6|2-(methylethylthio)benzoic acid|2-isopropylmercaptobenzoic acid|2-isopropylsulfanylbenzoic acid|2-(Isopropylsulfanyl)benzoicacid|Benzoic acid, 2-[(1-methylethyl)thio]-|2-[(Propan-2-yl)sulfanyl]benzoic acid|NCGC00339303-01|J1.169.725I|AB01331885-02
CAS: 41394-95-0
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.0558 g/mol |
| LogP | 2.8853 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0558 |
| Monoisotopic Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 307.54797 |
Chemical Identifiers
| CAS Number | 41394-95-0 |
|---|---|
| SMILES | CC(C)SC1=CC=CC=C1C(=O)O |
Product Overview
2-(Isopropylthio)benzoic acid (CAS 41394-95-0), with molecular formula C10H12O2S and molecular weight 196.0558 g/mol. IUPAC: 2-propan-2-ylsulfanylbenzoic 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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