1-Isothiocyanato-2-methylbutane; (S)-form
AlkaPlorer ID: AK303092
Synonym: None
IUPAC Name: 1-isothiocyanato-2-methylbutane
Structure
SMILES: CCC(C)CN=C=S
InChI: InChI=1S/C6H11NS/c1-3-6(2)4-7-5-8/h6H,3-4H2,1-2H3
InChIKey: MKWQGOSIKKPMLW-UHFFFAOYSA-N
Reference
The Mustard Oils of Dentaria pinnata Lmk.
PubChem CID: 138225
CAS: 4404-51-7
LOTUS: LTS0144466
COCONUT: CNP0333969.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Putranjiva | Putranjivaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 129.228
TPSA？: 12.36
MolLogP？: 2.1353
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|