Molecule

(R)-7-Methylsulfinyl heptyl isothiocyanate

AlkaPlorer ID: AK050381

Synonym: ''

IUPAC Name: 1-isothiocyanato-7-[(S)-methylsulfinyl]heptane

SMILES: C[S@](=O)CCCCCCCN=C=S

InChI: InChI=1S/C9H17NOS2/c1-13(11)8-6-4-2-3-5-7-10-9-12/h2-8H2,1H3/t13-/m0/s1

InChIKey: OGYHCBGORZWBPH-ZDUSSCGKSA-N

PubChem CID: 163100623

LOTUS: LTS0136407

SuperNatural Ⅲ: SN0301731

NPASS: NPC293356

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces pentaticus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Eritrichium sericeum	Eritrichium	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Olea europaea	Olea	Oleaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lobophytum schoedei	Lobophytum	Alcyoniidae	Malacalcyonacea	Anthozoa	Cnidaria	Metazoa	Eukaryota
Streptomyces argenteolus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Anemone tomentosa	Anemone	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Chrysosplenium americanum	Chrysosplenium	Saxifragaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sabia japonica	Sabia	Sabiaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Colpomenia sinuosa	Colpomenia	Scytosiphonaceae	Ectocarpales	Phaeophyceae	None	None	Eukaryota
Bohadschia vitiensis	Bohadschia	Holothuriidae	Aspidochirotida	Holothuroidea	Echinodermata	Metazoa	Eukaryota

Molecule Weight: 219.375

TPSA？: 29.43

MolLogP？: 2.418200000000001

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi