Lethane
AlkaPlorer ID: AK000581
Synonym: None
IUPAC Name: 2-(2-butoxyethoxy)ethyl thiocyanate
Structure
SMILES: CCCCOCCOCCSC#N
InChI: InChI=1S/C9H17NO2S/c1-2-3-4-11-5-6-12-7-8-13-9-10/h2-8H2,1H3
InChIKey: JVGPVVUTUMQJKL-UHFFFAOYSA-N
Reference
Novel 2-aryl-3,4,5-trihydroxypiperidines: Synthesis and glycosidase inhibition
PubChem CID: 8196
CAS: 112-56-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 203.307
TPSA？: 42.25
MolLogP？: 2.03398
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Glucocorticoid receptor | Potency | 562.3 | nM | None |
| Homo sapiens | Interleukin-8 | Potency | 47307.9 | nM | None |
| Homo sapiens | Peroxisome proliferator-activated receptor gamma | Potency | 31622.8 | nM | None |