1-(1-isothiocyanato-2-methylpropan-2-yl)-4-methoxybenzene
AlkaPlorer ID: AK222150
Synonym: None
IUPAC Name: 1-(1-isothiocyanato-2-methylpropan-2-yl)-4-methoxybenzene
Structure
SMILES: COC1=CC=C(C(C)(C)CN=C=S)C=C1
InChI: InChI=1S/C12H15NOS/c1-12(2,8-13-9-15)10-4-6-11(14-3)7-5-10/h4-7H,8H2,1-3H3
InChIKey: VYBIVSNVJJFIQB-UHFFFAOYSA-N
Reference
Isothiocyanates, thiourees et thiocarbamates isoles de Pentadiplandra brazzeana
PubChem CID: 85925847
LOTUS: LTS0057215
COCONUT: CNP0254392
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pentadiplandra brazzeana | Pentadiplandra | Pentadiplandraceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 221.325
TPSA？: 21.59
MolLogP？: 3.075600000000001
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|