1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea
TL;DR: 1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea (CAS 685113-17-1) is a chemical compound with molecular formula C12H10ClFN2S2 and molecular weight 300.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea
Also Known As: AB00029116-01, 1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea, N-(3-chloro-4-fluorophenyl)-N'-(2-thienylmethyl)thiourea, [(3-chloro-4-fluorophenyl)amino][(2-thienylmethyl)amino]methane-1-thione
| Molecular Formula | C12H10ClFN2S2 |
|---|---|
| Molecular Weight | 300.00 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.9958 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 685113-17-1 |
|---|---|
| SMILES | C1=CSC(=C1)CNC(=S)NC2=CC(=C(C=C2)F)Cl |
| InChIKey | CWWDHFSVFKXMRP-UHFFFAOYSA-N |
Product Overview
1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea (CAS 685113-17-1), with molecular formula C12H10ClFN2S2 and molecular weight 300.00 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea.
Chemical Property Profile of 1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea
Property Insights of 1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea
The XLogP value of 3.5 indicates that 1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea. Following Lipinski's Rule of Five, 1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)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-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea?
The CAS number of 1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea is 685113-17-1.
What is the molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea?
The molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea is C12H10ClFN2S2.
What is the molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea?
The molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea is 300.00 g/mol.
Where can I buy 1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea?
You can request a quote for 1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-fluorophenyl)-3-(thiophen-2-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.