Molecule

1-Isothiocyanato-10-(methylthio)decane; S-Oxide

AlkaPlorer ID: AK303099

Synonym: 1-Isothiocyanato-10-(methylsulfinyl)decane, 10-(Methylsulfinyl)decyl isothiocyanate, Camelinin

IUPAC Name: 1-isothiocyanato-10-methylsulfinyldecane

SMILES: CS(=O)CCCCCCCCCCN=C=S

InChI: InChI=1S/C12H23NOS2/c1-16(14)11-9-7-5-3-2-4-6-8-10-13-12-15/h2-11H2,1H3

InChIKey: BULCNSNGNSSTBP-UHFFFAOYSA-N

PubChem CID: 9856525

LOTUS: LTS0086688

COCONUT: CNP0067221.1

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Camelina	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Camelina sativa	Camelina	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Neslia paniculata	Neslia	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Camelina microcarpa	Camelina	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 261.456

TPSA？: 29.43

MolLogP？: 3.5885000000000025

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi