1-Isocyano-6-spiroaxene; (1R,4S,5R,10S)-form, Isothiocyanate
AlkaPlorer ID: AK302864
Synonym: 1-Isothiocyanato-6-spiroaxene, Acanthisothiocyanate 3
IUPAC Name: 4-isothiocyanato-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-ene
Structure
SMILES: CC(C)C1=CC2(CCC(C)C2N=C=S)C(C)CC1
InChI: InChI=1S/C16H25NS/c1-11(2)14-6-5-13(4)16(9-14)8-7-12(3)15(16)17-10-18/h9,11-13,15H,5-8H2,1-4H3
InChIKey: NSAVEBLGGOHGSJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella acuta | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 263.45
TPSA？: 12.36
MolLogP？: 4.8864000000000045
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|