Products for Research Use Only

Iberverin

CAT: 0013-GTR19167316-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167316-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Iberverin is a natural compound that upregulates phase II detoxification enzymes and suppresses androgen receptor expression in prostate cancer models. Its mechanisms have been studied in vitro, showing potential for research in chemoprevention and hormone-responsive cancers.
CAS Number
505-79-3
Product Name Alternative
Iberverin
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Signal Transduction
Purity
99.94% (May vary between batches)
Solubility
DMSO:50 mg/mL (339.54 mM)
Smiles
CSCCCN=C=S
Molecular Formula
C5H9NS2
Molecular Weight
147.26
Storage Conditions
-20°C
Notes
For research use only.

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...
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