![4-{[(4-Chlorophenyl)thio]methyl}benzonitrile structure](/static/products/1010/101094-80-8.webp)
4-{[(4-Chlorophenyl)thio]methyl}benzonitrile
TL;DR: 4-{[(4-Chlorophenyl)thio]methyl}benzonitrile (CAS 101094-80-8) is a chemical compound with molecular formula C14H10ClNS and molecular weight 259.02225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-chlorophenyl)sulfanylmethyl]benzonitrile
Also Known As: Maybridge4_000571, IDI1_031153, 4-{[(4-chlorophenyl)thio]methyl}benzonitrile, 4-[[(4-Chlorophenyl)thio]methyl]benZonitrile, 4-[(4-chlorophenyl)sulfanylmethyl]benzonitrile
Technical Specifications
| Molecular Formula | C14H10ClNS |
| Molecular Weight | 259.02225 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.02225 Da |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
| SMILES | C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)C#N |
| InChIKey | SYAXLNUEYINJCW-UHFFFAOYSA-N |
Chemical Property Profile of 4-{[(4-Chlorophenyl)thio]methyl}benzonitrile
Property Insights of 4-{[(4-Chlorophenyl)thio]methyl}benzonitrile
The XLogP value of 4.3 indicates that 4-{[(4-Chlorophenyl)thio]methyl}benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, 4-{[(4-Chlorophenyl)thio]methyl}benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[(4-Chlorophenyl)thio]methyl}benzonitrile 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 4-{[(4-Chlorophenyl)thio]methyl}benzonitrile?
The CAS number of 4-{[(4-Chlorophenyl)thio]methyl}benzonitrile is 101094-80-8.
What is the molecular formula of 4-{[(4-Chlorophenyl)thio]methyl}benzonitrile?
The molecular formula of 4-{[(4-Chlorophenyl)thio]methyl}benzonitrile is C14H10ClNS.
What is the molecular weight of 4-{[(4-Chlorophenyl)thio]methyl}benzonitrile?
The molecular weight of 4-{[(4-Chlorophenyl)thio]methyl}benzonitrile is 259.02225 g/mol.
Where can I buy 4-{[(4-Chlorophenyl)thio]methyl}benzonitrile?
You can request a quote for 4-{[(4-Chlorophenyl)thio]methyl}benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-{[(4-Chlorophenyl)thio]methyl}benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-{[(4-Chlorophenyl)thio]methyl}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.