3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)-
TL;DR: 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)- (CAS 116526-42-2) is a chemical compound with molecular formula C12H8ClNS2 and molecular weight 264.97867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile
Also Known As: Maybridge1_004640, 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)-, 4-(4-Chlorophenyl)-2-(methylthio)-3-thiophenecarbonitrile, 4-(4-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile, Iron(Iii) Perchlorate Hydrate, Reagent Grade
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H8ClNS2 |
| Molecular Weight | 264.97867 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.97867 Da |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
| SMILES | CSC1=C(C(=CS1)C2=CC=C(C=C2)Cl)C#N |
| InChIKey | PSQCZWWOKDAVQV-UHFFFAOYSA-N |
Chemical Property Profile of 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)-
Property Insights of 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)-
The XLogP value of 4.4 indicates that 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)-. Following Lipinski's Rule of Five, 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)- 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-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)-?
The CAS number of 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)- is 116526-42-2.
What is the molecular formula of 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)-?
The molecular formula of 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)- is C12H8ClNS2.
What is the molecular weight of 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)-?
The molecular weight of 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)- is 264.97867 g/mol.
Where can I buy 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)-?
You can request a quote for 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)-?
Yes, CoreyChem provides custom synthesis services for 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.