Propionic acid, 3-(isopropylthio)-
3-propan-2-ylsulfanylpropanoic acid
Also Known As: 3- propanoicacid|3-(propan-2-ylsulfanyl)propanoic acid|3-propan-2-ylsulfanylpropanoic acid|Propionic acid, 3-(isopropylthio)-|3-(Isopropylthio)propanoic acid|3-isopropylsulfanylpropanoic acid|3-Isopropylmercapto-propionsaeure|3-(isopropylthio) propionic acid|Propanoic acid, 3-[(1-methylethyl)thio]-|3-(isopropylsulfanyl)-propanoic acid|3-(Isopropylsulfanyl)propanoic acid #|3-[(1-Methylethyl)thio]propionic acid|3-[(Propan-2-yl)sulfanyl]propanoic acid|Propanoic acid,3-[(1-methylethyl)thio]-|A1-08075
| Molecular Formula | C6H12O2S |
|---|---|
| Molecular Weight | 148.0558 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.0558 |
| Monoisotopic Mass | 148.0558 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 2826-91-7 |
|---|---|
| SMILES | CC(C)SCCC(=O)O |
| InChIKey | BSMZRZIXCAUUCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propionic acid, 3-(isopropylthio)- (CAS 2826-91-7), with molecular formula C6H12O2S and molecular weight 148.0558 g/mol. IUPAC: 3-propan-2-ylsulfanylpropanoic acid.
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