Iberin
TL;DR: Iberin (CAS 505-44-2) is a chemical compound with molecular formula C5H9NOS2 and molecular weight 163.01256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-isothiocyanato-3-methylsulfinylpropane
Also Known As: Iberin, sulfpraphane, IMSP, 3-Methylsulfinylpropyl isothiocyanate, Iberin?
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9NOS2 |
| Molecular Weight | 163.01256 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 163.01256 Da |
| Heavy Atoms | 9 |
| Complexity | 140.0 |
| SMILES | CS(=O)CCCN=C=S |
| InChIKey | LELAOEBVZLPXAZ-UHFFFAOYSA-N |
Product Description
Applications: Iberin is used in pharmaceutical synthesis routes and API production, as well as food, feed, and nutraceutical applications. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Iberin (CAS 505-44-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Iberin (CAS 505-44-2) is a pharmaceutical intermediate with the molecular formula C5H9NOS2 and a molecular weight of 163.01 g/mol. It is also known as Iberin and sulfpraphane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Iberin
Property Insights of Iberin
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iberin. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Iberin. Following Lipinski's Rule of Five, Iberin has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Iberin?
The CAS number of Iberin is 505-44-2.
What is the molecular formula of Iberin?
The molecular formula of Iberin is C5H9NOS2.
What is the molecular weight of Iberin?
The molecular weight of Iberin is 163.01256 g/mol.
What are the applications of Iberin?
Iberin is used in pharmaceutical synthesis routes and API production, as well as food, feed, and nutraceutical applications. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Iberin (CAS 505-44-2) with custom synthesis available from milligram to...
Where can I buy Iberin?
You can request a quote for Iberin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Iberin?
Yes, CoreyChem provides custom synthesis services for Iberin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.