(3R)-1-isothiocyanato-5-methanesulfonylpentan-3-ol
AlkaPlorer ID: AK188395
Synonym: None
IUPAC Name: (3R)-1-isothiocyanato-5-methylsulfonylpentan-3-ol
Structure
SMILES: CS(=O)(=O)CC[C@H](O)CCN=C=S
InChI: InChI=1S/C7H13NO3S2/c1-13(10,11)5-3-7(9)2-4-8-6-12/h7,9H,2-5H2,1H3/t7-/m1/s1
InChIKey: CKHWVIWXGBOEMP-SSDOTTSWSA-N
Reference
Glucosinolates in Erysimum hieracifolium L.; Three New, Naturally Occurring Glucosinolates.
PubChem CID: 162882532
LOTUS: LTS0198450
SuperNatural Ⅲ: SN0048067-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erysimum rhaeticum | Erysimum | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 223.319
TPSA？: 66.73
MolLogP？: 0.2749000000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|