6-Isodaucene 14-isonitrile; Isothiocyanate
AlkaPlorer ID: AK302874
Synonym: 6-Isodaucene 14-isothiocyanate
IUPAC Name: 5-(isothiocyanatomethyl)-8a-methyl-3-propan-2-yl-2,3,3a,6,7,8-hexahydro-1H-azulene
Structure
SMILES: CC(C)C1CCC2(C)CCCC(CN=C=S)=CC12
InChI: InChI=1S/C16H25NS/c1-12(2)14-6-8-16(3)7-4-5-13(9-15(14)16)10-17-11-18/h9,12,14-15H,4-8,10H2,1-3H3
InChIKey: SBJQLCBBAZIITI-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？: 4.888000000000005
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|