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L-Sulforaphane

CAT: 0024-sc-203099Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-203099Size:10 mg
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CAS Number
142825-10-3

Chemical Information

1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane

(R)-sulforaphane is a sulforaphane in which the sulfinyl group has R configuration. Naturally occurring compound found in brocolli that acts as a potent inducer of phase II detoxification enzymes. It is an enantiomer of a (S)-sulforaphane.

CAS Number142825-10-3
PubChem CID9577379
IUPAC Name1-isothiocyanato-4-[(R)-methylsulfinyl]butane
Molecular FormulaC6H11NOS2
Molecular Weight177.3
XLogP1.4
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity152
SMILES
C[S@@](=O)CCCCN=C=S
InChI
InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m1/s1
InChIKey
SUVMJBTUFCVSAD-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of 1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane
CAS: 142825-10-3
CID: 9577379
Formula: C6H11NOS2
MW: 177.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.3
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass177.02820632
Monoisotopic Mass177.02820632
Topological Polar Surface Area80.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity152
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3611468-01L-Sulforaphane
TRC-S699115-25MGD,L-Sulforaphane
FS27960-01D, L-Sulforaphane
S8019-69D, L-Sulforaphane N-Acetyl-L-cysteine (Sulforaphane NAC)
MBS6014164-01D,L-Sulforaphane N-Acetyl-L-cysteine (Sulforaphane NAC)
S8019-76D, L-Sulforaphane L-cysteine
TRC-S699410-10MGD,L-Sulforaphane-L-cysteine
FS27963-01D, L-Sulforaphane-L-cysteine
MBS6106296-01D,L-Sulforaphane L-cysteine
S8019-77-01D, L-Sulforaphane Glutathione

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