2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile
TL;DR: 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile (CAS 104366-23-6) is a chemical compound with molecular formula C6H3ClN2OS and molecular weight 185.96545 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-chloro-5-formylthiophene-3-carbonitrile
Also Known As: 2-amino-4-chloro-5-formylthiophene-3-carbonitrile, 2-Amino-4-chloro-3-cyano-5-formylthiophene, 2-Amino-3-cyano-4-chloro-5-formylthiophene, 2-amino-4-chloro-5-formyl-3-thiophenecarbonitrile, WT552
Technical Specifications
| Molecular Formula | C6H3ClN2OS |
| Molecular Weight | 185.96545 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 95.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.96545 Da |
| Heavy Atoms | 11 |
| Complexity | 214.0 |
| SMILES | C(=O)C1=C(C(=C(S1)N)C#N)Cl |
| InChIKey | XIZSUYSWKGAOCN-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile
Property Insights of 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile has 1 hydrogen bond donor(s) and 4 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-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile?
The CAS number of 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile is 104366-23-6.
What is the molecular formula of 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile?
The molecular formula of 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile is C6H3ClN2OS.
What is the molecular weight of 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile?
The molecular weight of 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile is 185.96545 g/mol.
Where can I buy 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile?
You can request a quote for 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.