Axisothiocyanate 1
AlkaPlorer ID: AK059756
Synonym: '(1R,3aR,7aR)-Octahydro-1-(1S)-1-isothiocyanato-2-methylpropyl-3a-methyl-7-methylene-1H-indene'
IUPAC Name: (3S,3aS,7aS)-3-[(1S)-1-isothiocyanato-2-methylpropyl]-7a-methyl-4-methylidene-2,3,3a,5,6,7-hexahydro-1H-indene
Structure
SMILES: C=C1CCC[C@@]2(C)CC[C@H]([C@@H](N=C=S)C(C)C)[C@@H]12
InChI: InChI=1S/C16H25NS/c1-11(2)15(17-10-18)13-7-9-16(4)8-5-6-12(3)14(13)16/h11,13-15H,3,5-9H2,1-2,4H3/t13-,14+,15-,16-/m0/s1
InChIKey: VLHPSDISSNMOQB-FZKCQIBNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Axinella cannabina | Axinella | 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 |
|---|