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Cheirolin

CAT: 0013-GTR19197909-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197909-01Size:25 mg
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Description
Cheirolin is a sulfonyl analog of sulforaphane that acts as an antioxidant. It potently induces both the activity and expression of cytoprotective Phase II enzymes. This compound is a valuable research tool for studying the Nrf2 pathway in models of oxidative stress and chemoprevention, applicable in both in vitro and in vivo experimental systems.
CAS Number
505-34-0
Smiles
C (CS (C) (=O) =O) CN=C=S
Molecular Formula
C5H9NO2S2
Molecular Weight
179.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cheirolin

has Nrf2-inducing activity; structure in first source

CAS Number505-34-0
PubChem CID10454
IUPAC Name1-isothiocyanato-3-methylsulfonylpropane
Molecular FormulaC5H9NO2S2
Molecular Weight179.3
XLogP1.3
Topological Polar Surface Area87
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity221
SMILES
CS(=O)(=O)CCCN=C=S
InChI
InChI=1S/C5H9NO2S2/c1-10(7,8)4-2-3-6-5-9/h2-4H2,1H3
InChIKey
ZSJGCHNCYSHQEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cheirolin
CAS: 505-34-0
CID: 10454
Formula: C5H9NO2S2
MW: 179.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.3
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass179.00747088
Monoisotopic Mass179.00747088
Topological Polar Surface Area87 Ų
Heavy Atom Count10
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-117107-01Cheirolin

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