Molecule

(2R)-2-isothiocyanatobutane

AlkaPlorer ID: AK036434

Synonym: None

IUPAC Name: (2R)-2-isothiocyanatobutane

SMILES: CC[C@@H](C)N=C=S

InChI: InChI=1S/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3/t5-/m1/s1

InChIKey: TUFJIDJGIQOYFY-RXMQYKEDSA-N

PubChem CID: 5399110

CAS: 4426-79-3

SuperNatural Ⅲ: SN0360142-01

NPASS: NPC264111

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Brassica juncea	Brassica	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Angelica sinensis	Angelica	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ligusticum sinense	Ligusticum	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cnidium officinale	Cnidium	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Angelica acutiloba	Angelica	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 115.201

TPSA？: 12.36

MolLogP？: 1.8877

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi