Iodocyanoacetylene
TL;DR: Iodocyanoacetylene (CAS 2003-32-9) is a chemical compound with molecular formula C(#CI)C#N and molecular weight 176.90755 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-iodoprop-2-ynenitrile
Also Known As: Iodocyanoacetylene, IC.equiv.CCN, 3-iodoprop-2-ynenitrile, 3-Iodopropiolonitrile, 3-Iodo-2-propynenitrile
Technical Specifications
| Molecular Formula | C(#CI)C#N |
| Molecular Weight | 176.90755 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.90755 Da |
| Heavy Atoms | 5 |
| Complexity | 116.0 |
| SMILES | C(#CI)C#N |
| InChIKey | MLKSRQZKJPGQQH-UHFFFAOYSA-N |
Product Description
Applications: Iodocyanoacetylene is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Iodocyanoacetylene (CAS 2003-32-9) is a fine chemical with the molecular formula C(#CI)C#N and a molecular weight of 176.91 g/mol. Synonyms include Iodocyanoacetylene and IC.equiv.CCN.
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 Iodocyanoacetylene
Property Insights of Iodocyanoacetylene
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iodocyanoacetylene. With a topological polar surface area (TPSA) of 23.8 Ų, Iodocyanoacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iodocyanoacetylene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Iodocyanoacetylene?
The CAS number of Iodocyanoacetylene is 2003-32-9.
What is the molecular formula of Iodocyanoacetylene?
The molecular formula of Iodocyanoacetylene is C(#CI)C#N.
What is the molecular weight of Iodocyanoacetylene?
The molecular weight of Iodocyanoacetylene is 176.90755 g/mol.
What are the applications of Iodocyanoacetylene?
Iodocyanoacetylene is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Iodocyanoacetylene?
You can request a quote for Iodocyanoacetylene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Iodocyanoacetylene?
Yes, CoreyChem provides custom synthesis services for Iodocyanoacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.