![2-[(2,4-Dichlorophenyl)thio]acetonitrile structure](/static/products/1035/103575-48-0.webp)
2-[(2,4-Dichlorophenyl)thio]acetonitrile
TL;DR: 2-[(2,4-Dichlorophenyl)thio]acetonitrile (CAS 103575-48-0) is a chemical compound with molecular formula C8H5Cl2NS and molecular weight 216.95198 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4-dichlorophenyl)sulfanylacetonitrile
Also Known As: 2-[(2,4-dichlorophenyl)thio]acetonitrile, PELARGONICACID, Maybridge1_004852, 2-(2,4-dichlorophenyl)sulfanylacetonitrile, 2-(2,4-DICHLOROPHENYL)THIOACETONITRILE
Technical Specifications
| Molecular Formula | C8H5Cl2NS |
| Molecular Weight | 216.95198 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.95198 Da |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)SCC#N |
| InChIKey | YNQODSRRTQZVMK-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(2,4-Dichlorophenyl)thio]acetonitrile
Property Insights of 2-[(2,4-Dichlorophenyl)thio]acetonitrile
The XLogP value of 3.5 indicates that 2-[(2,4-Dichlorophenyl)thio]acetonitrile 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-[(2,4-Dichlorophenyl)thio]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,4-Dichlorophenyl)thio]acetonitrile 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-[(2,4-Dichlorophenyl)thio]acetonitrile?
The CAS number of 2-[(2,4-Dichlorophenyl)thio]acetonitrile is 103575-48-0.
What is the molecular formula of 2-[(2,4-Dichlorophenyl)thio]acetonitrile?
The molecular formula of 2-[(2,4-Dichlorophenyl)thio]acetonitrile is C8H5Cl2NS.
What is the molecular weight of 2-[(2,4-Dichlorophenyl)thio]acetonitrile?
The molecular weight of 2-[(2,4-Dichlorophenyl)thio]acetonitrile is 216.95198 g/mol.
Where can I buy 2-[(2,4-Dichlorophenyl)thio]acetonitrile?
You can request a quote for 2-[(2,4-Dichlorophenyl)thio]acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(2,4-Dichlorophenyl)thio]acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-[(2,4-Dichlorophenyl)thio]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.