Penthienate
2-(2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetyl)oxyethyl-diethyl-methylazanium
| Molecular Formula | C18H30NO3S+ |
|---|---|
| Molecular Weight | 340.5 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 74.8 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 340.19464 |
| Heavy Atoms | 23 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 22064-27-3 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)C(C1CCCC1)(C2=CC=CS2)O |
| InChIKey | NEMLPWNINZELKP-UHFFFAOYSA-N |
📖 Product Overview
Penthienate (CAS: 22064-27-3) is a chemical compound with molecular formula C18H30NO3S+ and molecular weight 340.5 g/mol. Its IUPAC systematic name is 2-(2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetyl)oxyethyl-diethyl-methylazanium.
NEMLPWNINZELKP-UHFFFAOYSA-N.
SMILES: CC[N+](C)(CC)CCOC(=O)C(C1CCCC1)(C2=CC=CS2)O.
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