Products for Research Use Only
RegisterLogin

Cheirolin

CAT: 0931-T27003-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T27003-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
505-34-0
Target
Others
Related Pathways
Others
Bioactivity
Cheirolin, an antioxidant and sulfonyl analog of sulforaphane, induces phase II enzyme activity and expression.
Smiles
C(CS(C)(=O)=O)CN=C=S
Molecular Formula
C5H9NO2S2
Molecular Weight
179.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Popular Products