2-Phenyl-2-propan-2-ylsulfanylacetonitrile
TL;DR: 2-Phenyl-2-propan-2-ylsulfanylacetonitrile (CAS 132637-65-1) is a chemical compound with molecular formula C11H13NS and molecular weight 191.07687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-2-propan-2-ylsulfanylacetonitrile
Also Known As: alpha-(Isopropylthio)phenylacetonitrile, 2-phenyl-2-propan-2-ylsulfanylacetonitrile, 2-phenyl-2-propan-2-ylsulfanyl-acetonitrile
Technical Specifications
| Molecular Formula | C11H13NS |
| Molecular Weight | 191.07687 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.07687 Da |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
| SMILES | CC(C)SC(C#N)C1=CC=CC=C1 |
| InChIKey | NFOIFWGPWCGSHH-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenyl-2-propan-2-ylsulfanylacetonitrile
Property Insights of 2-Phenyl-2-propan-2-ylsulfanylacetonitrile
The XLogP value of 3.2 indicates that 2-Phenyl-2-propan-2-ylsulfanylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, 2-Phenyl-2-propan-2-ylsulfanylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-2-propan-2-ylsulfanylacetonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Phenyl-2-propan-2-ylsulfanylacetonitrile?
The CAS number of 2-Phenyl-2-propan-2-ylsulfanylacetonitrile is 132637-65-1.
What is the molecular formula of 2-Phenyl-2-propan-2-ylsulfanylacetonitrile?
The molecular formula of 2-Phenyl-2-propan-2-ylsulfanylacetonitrile is C11H13NS.
What is the molecular weight of 2-Phenyl-2-propan-2-ylsulfanylacetonitrile?
The molecular weight of 2-Phenyl-2-propan-2-ylsulfanylacetonitrile is 191.07687 g/mol.
Where can I buy 2-Phenyl-2-propan-2-ylsulfanylacetonitrile?
You can request a quote for 2-Phenyl-2-propan-2-ylsulfanylacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenyl-2-propan-2-ylsulfanylacetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Phenyl-2-propan-2-ylsulfanylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.