(2S)-2-isothiocyanatobutane
AlkaPlorer ID: AK036433
Synonym: None
IUPAC Name: (2S)-2-isothiocyanatobutane
Structure
SMILES: CC[C@H](C)N=C=S
InChI: InChI=1S/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3/t5-/m0/s1
InChIKey: TUFJIDJGIQOYFY-YFKPBYRVSA-N
Reference
Notiz über Spiritus Cochleariae
PubChem CID: 737359
CAS: 4522-93-4
LOTUS: LTS0255584
SuperNatural Ⅲ: SN0360142-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cochlearia officinalis | Cochlearia | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 115.201
TPSA？: 12.36
MolLogP？: 1.8877
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|