4-Isothiocyanato-2-methyl-1-butene
AlkaPlorer ID: AK015000
Synonym: (3-Methyl-3-butenyl) isothiocyanate
IUPAC Name: 4-isothiocyanato-2-methylbut-1-ene
Structure
SMILES: C=C(C)CCN=C=S
InChI: InChI=1S/C6H9NS/c1-6(2)3-4-7-5-8/h1,3-4H2,2H3
InChIKey: NOBNLEWUYUHHKW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Capparis | Capparaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 127.212
TPSA？: 12.36
MolLogP？: 2.0554
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|