1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea
TL;DR: 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea (CAS 93856-96-3) is a chemical compound with molecular formula C14H9Cl2F3N2OS and molecular weight 379.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea
Also Known As: EINECS 299-131-6, 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea, 1-(3,4-DICHLOROPHENYL)-3-[3-[(TRIFLUOROMETHYL)THIO]PHENYL]UREA, 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea, N-(3,4-Dichlorophenyl)-N -[3-[(trifluoromethyl)thio]phenyl]urea
| Molecular Formula | C14H9Cl2F3N2OS |
|---|---|
| Molecular Weight | 379.98 g/mol |
| LogP | 6.2493 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.97647 |
| Heavy Atoms | 23 |
| Complexity | 725.4088 |
Chemical Identifiers
| CAS Number | 93856-96-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC(F)(F)F)NC(=O)NC2=CC(=C(C=C2)Cl)Cl |
Product Overview
1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea (CAS 93856-96-3), with molecular formula C14H9Cl2F3N2OS and molecular weight 379.98 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea.
Chemical Property Profile of 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea
Property Insights of 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea
The XLogP value of 6.2493 indicates that 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea?
The CAS number of 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea is 93856-96-3.
What is the molecular formula of 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea?
The molecular formula of 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea is C14H9Cl2F3N2OS.
What is the molecular weight of 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea?
The molecular weight of 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea is 379.98 g/mol.
Where can I buy 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea?
You can request a quote for 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dichlorophenyl)-3-(3-((trifluoromethyl)thio)phenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.