N-(2,6-Dichlorophenyl)thiourea
TL;DR: N-(2,6-Dichlorophenyl)thiourea (CAS 6590-91-6) is a chemical compound with molecular formula C7H6Cl2N2S and molecular weight 219.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dichlorophenyl)thiourea
Also Known As: 2,6-DICHLOROPHENYLTHIOUREA, (2,6-dichlorophenyl)thiourea, 1-(2,6-Dichlorophenyl)thiourea, N-(2,6-dichlorophenyl)thiourea, Clonidine Impurity 12
| Molecular Formula | C7H6Cl2N2S |
|---|---|
| Molecular Weight | 219.96 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.96288 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 6590-91-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)NC(=S)N)Cl |
| InChIKey | KUQHRGMPBWZVQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2,6-Dichlorophenyl)thiourea (CAS 6590-91-6), with molecular formula C7H6Cl2N2S and molecular weight 219.96 g/mol. IUPAC: (2,6-dichlorophenyl)thiourea.
Chemical Property Profile of N-(2,6-Dichlorophenyl)thiourea
Property Insights of N-(2,6-Dichlorophenyl)thiourea
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,6-Dichlorophenyl)thiourea. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,6-Dichlorophenyl)thiourea. Following Lipinski's Rule of Five, N-(2,6-Dichlorophenyl)thiourea has 2 hydrogen bond donor(s) and 1 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 N-(2,6-Dichlorophenyl)thiourea?
The CAS number of N-(2,6-Dichlorophenyl)thiourea is 6590-91-6.
What is the molecular formula of N-(2,6-Dichlorophenyl)thiourea?
The molecular formula of N-(2,6-Dichlorophenyl)thiourea is C7H6Cl2N2S.
What is the molecular weight of N-(2,6-Dichlorophenyl)thiourea?
The molecular weight of N-(2,6-Dichlorophenyl)thiourea is 219.96 g/mol.
Where can I buy N-(2,6-Dichlorophenyl)thiourea?
You can request a quote for N-(2,6-Dichlorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,6-Dichlorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2,6-Dichlorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.