Axisothiocyanate 3
AlkaPlorer ID: AK048009
Synonym: '', 'Axisothiocyanate 3', '59633-81-7'
IUPAC Name: (5R,6S,9R,10R)-10-isothiocyanato-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene
Structure
SMILES: CC1=C[C@]2(CC1)[C@H](N=C=S)[C@@H](C(C)C)CC[C@@H]2C
InChI: InChI=1S/C16H25NS/c1-11(2)14-6-5-13(4)16(15(14)17-10-18)8-7-12(3)9-16/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15+,16-/m0/s1
InChIKey: QEUKPIZJCSOXDW-JJXSEGSLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella cavernosa | 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 |
|---|