3-Isothiocyanatocaryolane; (2R,3S,7R,10R)-form
AlkaPlorer ID: AK303079
Synonym: None
IUPAC Name: 1-isothiocyanato-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane
Structure
SMILES: CC12CCCC(N=C=S)(C1)C1CC(C)(C)C1CC2
InChI: InChI=1S/C16H25NS/c1-14(2)9-13-12(14)5-8-15(3)6-4-7-16(13,10-15)17-11-18/h12-13H,4-10H2,1-3H3
InChIKey: DAZOUEIRWBZBJQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phyllidia ocellata | Phyllidia | Phyllidiidae | Nudibranchia | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 263.45
TPSA？: 12.36
MolLogP？: 4.864400000000004
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|