Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride
O-(2-piperidin-1-ium-1-ylethyl) benzenecarbothioate chloride
Also Known As: AC1Q1SQT|RefChem:327966|AC1L1T2H|Thiobenzoic acid O-2-piperidinoethyl ester hydrochloride|BENZOIC ACID, THIO-, O-2-PIPERIDINOETHYL ESTER, HYDROCHLORIDE|1-{2-[(phenylcarbothioyl)oxy]ethyl}piperidinium chloride|O-(2-piperidin-1-ium-1-ylethyl) benzenecarbothioate chloride
| Molecular Formula | C14H20ClNOS |
|---|---|
| Molecular Weight | 285.0954 g/mol |
| LogP | -1.55 |
| Topological Polar Surface Area | 13.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.0954 |
| Heavy Atoms | 18 |
| Complexity | 352.1 |
Chemical Identifiers
| CAS Number | 109598-25-6 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCOC(=S)C2=CC=CC=C2.[Cl-] |
Product Overview
Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride (CAS 109598-25-6), with molecular formula C14H20ClNOS and molecular weight 285.0954 g/mol. IUPAC: O-(2-piperidin-1-ium-1-ylethyl) benzenecarbothioate chloride.
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