AG-G-67236
S-tert-butyl 2-(3-oxo-2-pent-2-ynylcyclopentyl)ethanethioate
Also Known As: thioaceticacid,S-t-butylester|AG-G-67236|Dehydrothiojasmonsaeure-S-t-butylester|S-tert-butyl 2-(3-oxo-2-pent-2-ynylcyclopentyl)ethanethioate|(3-Oxo-2-pent-2-ynylcyclopentyl)thioacetic acid, S-t-butyl ester|S-(tert-Butyl) [3-oxo-2-(2-pentynyl)cyclopentyl]ethanethioate|S-(tert-Butyl) [3-oxo-2-(2-pentynyl)cyclopentyl]ethanethioate #|S-tert-Butyl [3-oxo-2-(pent-2-yn-1-yl)cyclopentyl]ethanethioate|(3-OXO-2-PENT-2-YNYLCYCLOPENTYL)THIOACETIC ACID S-TERT-BUTYL ESTER
| Molecular Formula | C16H24O2S |
|---|---|
| Molecular Weight | 280.1497 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.1497 |
| Monoisotopic Mass | 280.1497 |
| Heavy Atoms | 19 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 68931-52-2 |
|---|---|
| SMILES | CCC#CCC1C(CCC1=O)CC(=O)SC(C)(C)C |
| InChIKey | IJMILRJXBDCLQT-UHFFFAOYSA-N |
Product Overview
AG-G-67236 (CAS 68931-52-2), with molecular formula C16H24O2S and molecular weight 280.1497 g/mol. IUPAC: S-tert-butyl 2-(3-oxo-2-pent-2-ynylcyclopentyl)ethanethioate.
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