5-Phenylamino-4-cyano-3-hydroxy-isothiazole
TL;DR: 5-Phenylamino-4-cyano-3-hydroxy-isothiazole (CAS 1137-65-1) is a chemical compound with molecular formula C10H7N3OS and molecular weight 217.03099 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-anilino-3-oxo-1,2-thiazole-4-carbonitrile
Also Known As: Maybridge4_002946, 5-anilino-3-oxo-1,2-thiazole-4-carbonitrile, 5-anilino-3-oxo-4-isothiazolecarbonitrile, 5-phenylamino-4-cyano-3-hydroxy-isothiazole, 5-anilino-3-oxo-isothiazole-4-carbonitrile
Technical Specifications
| Molecular Formula | C10H7N3OS |
| Molecular Weight | 217.03099 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.03099 Da |
| Heavy Atoms | 15 |
| Complexity | 349.0 |
| SMILES | C1=CC=C(C=C1)NC2=C(C(=O)NS2)C#N |
| InChIKey | GHXPCAXQBVCFNU-UHFFFAOYSA-N |
Chemical Property Profile of 5-Phenylamino-4-cyano-3-hydroxy-isothiazole
Property Insights of 5-Phenylamino-4-cyano-3-hydroxy-isothiazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenylamino-4-cyano-3-hydroxy-isothiazole. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Phenylamino-4-cyano-3-hydroxy-isothiazole. Following Lipinski's Rule of Five, 5-Phenylamino-4-cyano-3-hydroxy-isothiazole has 2 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 5-Phenylamino-4-cyano-3-hydroxy-isothiazole?
The CAS number of 5-Phenylamino-4-cyano-3-hydroxy-isothiazole is 1137-65-1.
What is the molecular formula of 5-Phenylamino-4-cyano-3-hydroxy-isothiazole?
The molecular formula of 5-Phenylamino-4-cyano-3-hydroxy-isothiazole is C10H7N3OS.
What is the molecular weight of 5-Phenylamino-4-cyano-3-hydroxy-isothiazole?
The molecular weight of 5-Phenylamino-4-cyano-3-hydroxy-isothiazole is 217.03099 g/mol.
Where can I buy 5-Phenylamino-4-cyano-3-hydroxy-isothiazole?
You can request a quote for 5-Phenylamino-4-cyano-3-hydroxy-isothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Phenylamino-4-cyano-3-hydroxy-isothiazole?
Yes, CoreyChem provides custom synthesis services for 5-Phenylamino-4-cyano-3-hydroxy-isothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.