![[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea structure](/static/products/6918/691879-66-0.webp)
[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea
TL;DR: [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea (CAS 691879-66-0) is a chemical compound with molecular formula C6H5F6N3OS and molecular weight 281.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea
Also Known As: [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea, 2-[(Z)-4,4,4-trifluoro-3-oxo-1-(trifluoromethyl)butylidene]-1-hydrazinecarbothioamide
| Molecular Formula | C6H5F6N3OS |
|---|---|
| Molecular Weight | 281.01 g/mol |
| LogP | 1.2594 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.00574 |
| Heavy Atoms | 17 |
| Complexity | 346.64035 |
Chemical Identifiers
| CAS Number | 691879-66-0 |
|---|---|
| SMILES | C(C(=NNC(=S)N)C(F)(F)F)C(=O)C(F)(F)F |
Product Overview
[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea (CAS 691879-66-0), with molecular formula C6H5F6N3OS and molecular weight 281.01 g/mol. IUPAC: [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea.
Chemical Property Profile of [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea
Property Insights of [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea
The XLogP value of 1.2594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea. Following Lipinski's Rule of Five, [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea?
The CAS number of [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea is 691879-66-0.
What is the molecular formula of [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea?
The molecular formula of [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea is C6H5F6N3OS.
What is the molecular weight of [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea?
The molecular weight of [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea is 281.01 g/mol.
Where can I buy [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea?
You can request a quote for [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for [(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.