SULFORAPHANE Next Previous

ChEMBL ID CHEMBL48802
PubChem CID
DrugBank Accession Number
ClinicalTrials SULFORAPHANE
Molecular Formula C6H11NOS2
Inchikey SUVMJBTUFCVSAD-UHFFFAOYSA-N
Cas Number 4478-93-7

Smiles
C[S+]([O-])CCCCN=C=S

Synonyms
4-(Methylsulfinyl)Butyl Isothiocyanate, (R)-SULFORAPHANE, SULFORAPHANE, (-)-SULFORAPHANE, SULFORAPHANE, (R)-

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 177.29
Rotatable Bonds 5
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) -
LogD (ACD) -
ALogP 1.25
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