1-Isothiocyanato-11-(methylthio)undecane; S-Oxide
AlkaPlorer ID: AK303107
Synonym: 1-Isothiocyanato-11-(methylsulfinyl)undecane, 11-(Methylsulfinyl)undecyl isothiocyanate
IUPAC Name: 1-isothiocyanato-11-methylsulfinylundecane
Structure
SMILES: CS(=O)CCCCCCCCCCCN=C=S
InChI: InChI=1S/C13H25NOS2/c1-17(15)12-10-8-6-4-2-3-5-7-9-11-14-13-16/h2-12H2,1H3
InChIKey: LKZWPWMVZWSHIE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neslia paniculata | Neslia | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 275.48299999999995
TPSA？: 29.43
MolLogP？: 3.978600000000004
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|