C9H8ClF3N4OS
TL;DR: C9H8ClF3N4OS (CAS 477873-18-0) is a chemical compound with molecular formula C9H8ClF3N4OS and molecular weight 312.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(methoxyamino)methylidene]thiourea
Also Known As: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-[(methoxyamino)methylene]thiourea, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-[(methoxyamino)methylidene]thiourea, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-[(1E)-(methoxyamino)methylidene]thiourea, 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-3-[(methoxyamino)methylene]thiourea, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-[(methoxyimino)methyl]thiourea
| Molecular Formula | C9H8ClF3N4OS |
|---|---|
| Molecular Weight | 312.01 g/mol |
| LogP | 2.6299 |
| Topological Polar Surface Area | 58.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.00595 |
| Heavy Atoms | 19 |
| Complexity | 494.84332 |
Chemical Identifiers
| CAS Number | 477873-18-0 |
|---|---|
| SMILES | CONC=NC(=S)NC1=C(C=C(C=N1)C(F)(F)F)Cl |
Product Overview
C9H8ClF3N4OS (CAS 477873-18-0), with molecular formula C9H8ClF3N4OS and molecular weight 312.01 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(methoxyamino)methylidene]thiourea.
Chemical Property Profile of C9H8ClF3N4OS
Property Insights of C9H8ClF3N4OS
The XLogP value of 2.6299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C9H8ClF3N4OS. With a topological polar surface area (TPSA) of 58.54 Ų, C9H8ClF3N4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C9H8ClF3N4OS 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 C9H8ClF3N4OS?
The CAS number of C9H8ClF3N4OS is 477873-18-0.
What is the molecular formula of C9H8ClF3N4OS?
The molecular formula of C9H8ClF3N4OS is C9H8ClF3N4OS.
What is the molecular weight of C9H8ClF3N4OS?
The molecular weight of C9H8ClF3N4OS is 312.01 g/mol.
Where can I buy C9H8ClF3N4OS?
You can request a quote for C9H8ClF3N4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H8ClF3N4OS?
Yes, KEHONG BIO provides custom synthesis services for C9H8ClF3N4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.