![3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile structure](/static/products/122/122888-05-5.webp)
3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile
TL;DR: 3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile (CAS 122888-05-5) is a chemical compound with molecular formula C12H19NS2 and molecular weight 241.09589 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,5-dithiaspiro[5.5]undecan-11-yl)propanenitrile
Also Known As: J1.884.588A, 1,5-Dithiaspiro[5.5]undecane-7-propiononitrile, 3-(1,5-dithiaspiro[5.5]undecan-7-yl)propanenitrile, 3-(7,11-dithiaspiro[5.5]undecan-5-yl)propanenitrile, 3-{1,5-dithiaspiro[5.5]undecan-7-yl}propanenitrile
Technical Specifications
| Molecular Formula | C12H19NS2 |
| Molecular Weight | 241.09589 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 74.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.09589 Da |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
| SMILES | C1CCC2(C(C1)CCC#N)SCCCS2 |
| InChIKey | RUKWBFUBWZIUNG-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile
Property Insights of 3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile
The XLogP value of 3.3 indicates that 3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile. Following Lipinski's Rule of Five, 3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile?
The CAS number of 3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile is 122888-05-5.
What is the molecular formula of 3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile?
The molecular formula of 3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile is C12H19NS2.
What is the molecular weight of 3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile?
The molecular weight of 3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile is 241.09589 g/mol.
Where can I buy 3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile?
You can request a quote for 3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(1,5-Dithiaspiro[5.5]undecan-11-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.