4-Isothiocyanatobutanoic acid
AlkaPlorer ID: AK303069
Synonym: None
IUPAC Name: 4-isothiocyanatobutanoic acid
Structure
SMILES: O=C(O)CCCN=C=S
InChI: InChI=1S/C5H7NO2S/c7-5(8)2-1-3-6-4-9/h1-3H2,(H,7,8)
InChIKey: RYKZJWRREHJQMQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erysimum diffusum | Erysimum | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 145.18300000000002
TPSA？: 49.66
MolLogP？: 0.954
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|