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Iberverin

CAT: 0931-T7873-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T7873-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
505-79-3
Target
Apoptosis, Reactive Oxygen Species, Others, ROS
Related Pathways
Apoptosis, NF-κB, Others, Metabolism, Immunology/Inflammation
Purity
0.9994
Bioactivity
Iberverin is a naturan product. It induces phase II enzyme activity and decreases expression of androgen receptors in prostate cancer cells.
Smiles
CSCCCN=C=S
Molecular Formula
C5H9NS2
Molecular Weight
147.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Methylthiopropyl isothiocyanate

has Nrf2-inducing activity; structure in first source

CAS Number505-79-3
PubChem CID62351
IUPAC Name1-isothiocyanato-3-methylsulfanylpropane
Molecular FormulaC5H9NS2
Molecular Weight147.3
XLogP2.6
Topological Polar Surface Area69.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity86
SMILES
CSCCCN=C=S
InChI
InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3
InChIKey
LDKSCZJUIURGMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylthiopropyl isothiocyanate
CAS: 505-79-3
CID: 62351
Formula: C5H9NS2
MW: 147.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.3
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass147.01764164
Monoisotopic Mass147.01764164
Topological Polar Surface Area69.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity86.4
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
sc-205719Iberverin
HY-121204R-01Iberverin (Standard)

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