2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid
2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]sulfanylbenzoic acid
Also Known As: 2-[(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)sulfanyl]benzoic acid|NCGC00330042-01|2-(2-Isopropyl-5-methyl-cyclohexyloxycarbonylmethylsulfanyl)-benzoic acid|AB01323867-02|2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]sulfanylbenzoic acid|2-[2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl]sulfanylbenzoic acid|2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid|2-[(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)sulfanyl]benzoicacid|2-[(5-methyl-2-propan-2-yl-cyclohexyl)oxycarbonylmethylsulfanyl]benzoic Acid|993-054-8
| Molecular Formula | C19H26O4S |
|---|---|
| Molecular Weight | 350.15518 g/mol |
| LogP | 4.4809 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.15518 |
| Monoisotopic Mass | 350.15518 |
| Heavy Atoms | 24 |
| Complexity | 584.48444 |
Chemical Identifiers
| CAS Number | 1005159-83-0 |
|---|---|
| SMILES | CC1CCC(C(C1)OC(=O)CSC2=CC=CC=C2C(=O)O)C(C)C |
Product Overview
2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid (CAS 1005159-83-0), with molecular formula C19H26O4S and molecular weight 350.15518 g/mol. IUPAC: 2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]sulfanylbenzoic acid.