2-Isothiocyanato-1-propanol; Benzoyl
AlkaPlorer ID: AK303113
Synonym: Benzosisymbrin
IUPAC Name: 2-isothiocyanatopropyl benzoate
Structure
SMILES: CC(COC(=O)C1=CC=CC=C1)N=C=S
InChI: InChI=1S/C11H11NO2S/c1-9(12-8-15)7-14-11(13)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3
InChIKey: RSRYUJFLMOWYLW-UHFFFAOYSA-N
Reference
PubChem CID: 101417586
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sisymbrium austriacum | Sisymbrium | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 221.281
TPSA？: 38.66
MolLogP？: 2.3347000000000007
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|