2-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile
TL;DR: 2-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile (CAS 103575-65-1) is a chemical compound with molecular formula C10H10ClNS and molecular weight 211.02225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chloro-2,5-dimethylphenyl)sulfanylacetonitrile
Also Known As: Maybridge1_001401, 2-(4-chloro-2,5-dimethylphenyl)sulfanylacetonitrile
Technical Specifications
| Molecular Formula | C10H10ClNS |
| Molecular Weight | 211.02225 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.02225 Da |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
| SMILES | CC1=CC(=C(C=C1Cl)C)SCC#N |
| InChIKey | CWEQKQHGDNNYJU-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile
Property Insights of 2-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile
The XLogP value of 3.6 indicates that 2-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile 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-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile 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-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile?
The CAS number of 2-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile is 103575-65-1.
What is the molecular formula of 2-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile?
The molecular formula of 2-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile is C10H10ClNS.
What is the molecular weight of 2-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile?
The molecular weight of 2-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile is 211.02225 g/mol.
Where can I buy 2-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile?
You can request a quote for 2-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(4-Chloro-2,5-dimethylphenyl)sulfanylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.