8-(3-Octylthiiran-2-yl)octanoic acid
8-(3-octylthiiran-2-yl)octanoic acid
Also Known As: 8-(3-octylthiiran-2-yl)octanoic acid|9,10-epithiostearic acid|theta, iota-Epithiostearic acid|2-Thiiraneoctanoicacid,3-octyl|2-Thiiraneoctanoicacid, 3-octyl-|8-(3-Octyl-thiiranyl)-octanoic acid
CAS: 3075-89-6
| Molecular Formula | C18H34O2S |
|---|---|
| Molecular Weight | 314.22797 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 314.22797 |
| Monoisotopic Mass | 314.22797 |
| Heavy Atoms | 21 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 3075-89-6 |
|---|---|
| SMILES | CCCCCCCCC1C(S1)CCCCCCCC(=O)O |
| InChIKey | DHJUGHFMUPDPHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (1 patents)
Heterocyclic Building Blocks (2 patents)
Pharmaceutical Intermediates (2 patents)
Product Overview
8-(3-Octylthiiran-2-yl)octanoic acid (CAS 3075-89-6), with molecular formula C18H34O2S and molecular weight 314.22797 g/mol. IUPAC: 8-(3-octylthiiran-2-yl)octanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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