4-Chlorophenyl-2-thiourea
TL;DR: 4-Chlorophenyl-2-thiourea (CAS 3696-31-9) is a chemical compound with molecular formula C7H7ClN2S and molecular weight 186.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)thiourea
Also Known As: 4-chlorophenylthiourea, 1-(4-chlorophenyl)thiourea, (4-Chlorophenyl)thiourea, N-(4-Chlorophenyl)thiourea, 4-Chlorophenyl thiourea
| Molecular Formula | C7H7ClN2S |
|---|---|
| Molecular Weight | 186.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.00185 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 3696-31-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)N)Cl |
| InChIKey | XVEFWRUIYOXUGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorophenyl-2-thiourea (CAS 3696-31-9), with molecular formula C7H7ClN2S and molecular weight 186.00 g/mol. IUPAC: (4-chlorophenyl)thiourea.
Chemical Property Profile of 4-Chlorophenyl-2-thiourea
Property Insights of 4-Chlorophenyl-2-thiourea
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophenyl-2-thiourea. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorophenyl-2-thiourea. Following Lipinski's Rule of Five, 4-Chlorophenyl-2-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 4-Chlorophenyl-2-thiourea?
The CAS number of 4-Chlorophenyl-2-thiourea is 3696-31-9.
What is the molecular formula of 4-Chlorophenyl-2-thiourea?
The molecular formula of 4-Chlorophenyl-2-thiourea is C7H7ClN2S.
What is the molecular weight of 4-Chlorophenyl-2-thiourea?
The molecular weight of 4-Chlorophenyl-2-thiourea is 186.00 g/mol.
Where can I buy 4-Chlorophenyl-2-thiourea?
You can request a quote for 4-Chlorophenyl-2-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl-2-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.