C6H8F4Cl2N4OS
TL;DR: C6H8F4Cl2N4OS (CAS 100482-82-4) is a chemical compound with molecular formula C6H7Cl2F4N3OS and molecular weight 314.9623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-3-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]thiourea
Also Known As: (3E)-1-amino-3-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difl, 4-Chloro-4,4-difluoro-3-hydroxy-3-(chlorodifluoromethyl)butyraldehyde thiosemicarbazone, Butyraldehyde, 4-chloro-4,4-difluoro-3-hydroxy-3-(chlorodifluoromethyl)-, thiosemicarbazone
Technical Specifications
| Molecular Formula | C6H7Cl2F4N3OS |
| Molecular Weight | 314.9623 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.9623 Da |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
| SMILES | C(C=NC(=S)NN)C(C(F)(F)Cl)(C(F)(F)Cl)O |
| InChIKey | UGZDNTMXESDINT-UHFFFAOYSA-N |
Chemical Property Profile of C6H8F4Cl2N4OS
Property Insights of C6H8F4Cl2N4OS
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C6H8F4Cl2N4OS. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C6H8F4Cl2N4OS. Following Lipinski's Rule of Five, C6H8F4Cl2N4OS has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C6H8F4Cl2N4OS?
The CAS number of C6H8F4Cl2N4OS is 100482-82-4.
What is the molecular formula of C6H8F4Cl2N4OS?
The molecular formula of C6H8F4Cl2N4OS is C6H7Cl2F4N3OS.
What is the molecular weight of C6H8F4Cl2N4OS?
The molecular weight of C6H8F4Cl2N4OS is 314.9623 g/mol.
Where can I buy C6H8F4Cl2N4OS?
You can request a quote for C6H8F4Cl2N4OS directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C6H8F4Cl2N4OS?
Yes, CoreyChem provides custom synthesis services for C6H8F4Cl2N4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.