氟虫腈硫醚
TL;DR: 氟虫腈硫醚 (CAS 120067-83-6) is a chemical compound with molecular formula C12H4Cl2F6N4S and molecular weight 419.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟虫腈硫醚
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile
Also Known As: Fipronil Sulfide, fipronil-sulfide, Fipronil metabolite, 4-Bromo-6-methyl-1H-indazole, MB 45950
| Molecular Formula | C12H4Cl2F6N4S |
|---|---|
| Molecular Weight | 419.94 g/mol |
| LogP | 5.26368 |
| Topological Polar Surface Area | 67.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.9438 |
| Heavy Atoms | 25 |
| Complexity | 845.1964 |
Chemical Identifiers
| CAS Number | 120067-83-6 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)SC(F)(F)F)N)Cl)C(F)(F)F |
Product Overview
氟虫腈硫醚 (CAS 120067-83-6), with molecular formula C12H4Cl2F6N4S and molecular weight 419.94 g/mol. IUPAC: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile.
Chemical Property Profile of 氟虫腈硫醚
Property Insights of 氟虫腈硫醚
The XLogP value of 5.26368 indicates that 氟虫腈硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 氟虫腈硫醚. Following Lipinski's Rule of Five, 氟虫腈硫醚 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 氟虫腈硫醚?
The CAS number of 氟虫腈硫醚 is 120067-83-6.
What is the molecular formula of 氟虫腈硫醚?
The molecular formula of 氟虫腈硫醚 is C12H4Cl2F6N4S.
What is the molecular weight of 氟虫腈硫醚?
The molecular weight of 氟虫腈硫醚 is 419.94 g/mol.
Where can I buy 氟虫腈硫醚?
You can request a quote for 氟虫腈硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟虫腈硫醚?
Yes, KEHONG BIO provides custom synthesis services for 氟虫腈硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.