N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea
TL;DR: N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea (CAS 298215-85-7) is a chemical compound with molecular formula C13H9Cl2FN2S and molecular weight 313.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)thiourea
Also Known As: 3-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)thiourea, N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea, 1-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)thiourea
| Molecular Formula | C13H9Cl2FN2S |
|---|---|
| Molecular Weight | 313.98 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.98474 |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 298215-85-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)NC2=CC(=C(C=C2)F)Cl)Cl |
| InChIKey | AWHOZNZKIQAJCD-UHFFFAOYSA-N |
Product Overview
N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea (CAS 298215-85-7), with molecular formula C13H9Cl2FN2S and molecular weight 313.98 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)thiourea.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea
Property Insights of N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea
The XLogP value of 5.4 indicates that N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea 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 N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea?
The CAS number of N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea is 298215-85-7.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea?
The molecular formula of N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea is C13H9Cl2FN2S.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea?
The molecular weight of N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea is 313.98 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea?
You can request a quote for N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.