Pseudourea, 2-phenacyl-2-thio-, hydrochloride
TL;DR: Pseudourea, 2-phenacyl-2-thio-, hydrochloride (CAS 64039-38-9) is a chemical compound with molecular formula C9H11ClN2OS and molecular weight 230.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl carbamimidothioate;hydrochloride
Also Known As: Phenacyl isothiourea hydrochloride, Pseudourea, 2-phenacyl-2-thio-, hydrochloride, Carbamimidothioic acid, monohydrochloride, phenacyl carbamimidothioate hydrochloride, Carbamimidothioic acid, 2-oxo-2-phenylethyl ester, monohydrochloride
| Molecular Formula | C9H11ClN2OS |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | 1.92 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.02806 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 64039-38-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC(=N)N.Cl |
| InChIKey | UORQGDJGNZAVBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pseudourea, 2-phenacyl-2-thio-, hydrochloride (CAS 64039-38-9), with molecular formula C9H11ClN2OS and molecular weight 230.03 g/mol. IUPAC: phenacyl carbamimidothioate;hydrochloride.
Chemical Property Profile of Pseudourea, 2-phenacyl-2-thio-, hydrochloride
Property Insights of Pseudourea, 2-phenacyl-2-thio-, hydrochloride
The XLogP value of 1.92 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-phenacyl-2-thio-, hydrochloride. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudourea, 2-phenacyl-2-thio-, hydrochloride. Following Lipinski's Rule of Five, Pseudourea, 2-phenacyl-2-thio-, hydrochloride has 3 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 Pseudourea, 2-phenacyl-2-thio-, hydrochloride?
The CAS number of Pseudourea, 2-phenacyl-2-thio-, hydrochloride is 64039-38-9.
What is the molecular formula of Pseudourea, 2-phenacyl-2-thio-, hydrochloride?
The molecular formula of Pseudourea, 2-phenacyl-2-thio-, hydrochloride is C9H11ClN2OS.
What is the molecular weight of Pseudourea, 2-phenacyl-2-thio-, hydrochloride?
The molecular weight of Pseudourea, 2-phenacyl-2-thio-, hydrochloride is 230.03 g/mol.
Where can I buy Pseudourea, 2-phenacyl-2-thio-, hydrochloride?
You can request a quote for Pseudourea, 2-phenacyl-2-thio-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-phenacyl-2-thio-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-phenacyl-2-thio-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.