4-Chlorobenzyl carbamimidothioate
TL;DR: 4-Chlorobenzyl carbamimidothioate (CAS 46124-27-0) is a chemical compound with molecular formula C8H9ClN2S and molecular weight 200.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl carbamimidothioate
Also Known As: 4-chlorobenzyl carbamimidothioate, p-Chlorobenzylpseudothiuronium, s-(4-chlorobenzyl)isothiourea, p-Chlorobenzylpseudothiuronium [MI], Pseudourea, monohydrochloride
| Molecular Formula | C8H9ClN2S |
|---|---|
| Molecular Weight | 200.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.0175 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 46124-27-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC(=N)N)Cl |
| InChIKey | YOCWIHYZDHPSHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorobenzyl carbamimidothioate (CAS 46124-27-0), with molecular formula C8H9ClN2S and molecular weight 200.02 g/mol. IUPAC: (4-chlorophenyl)methyl carbamimidothioate.
Chemical Property Profile of 4-Chlorobenzyl carbamimidothioate
Property Insights of 4-Chlorobenzyl carbamimidothioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobenzyl carbamimidothioate. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorobenzyl carbamimidothioate. Following Lipinski's Rule of Five, 4-Chlorobenzyl carbamimidothioate has 2 hydrogen bond donor(s) and 2 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-Chlorobenzyl carbamimidothioate?
The CAS number of 4-Chlorobenzyl carbamimidothioate is 46124-27-0.
What is the molecular formula of 4-Chlorobenzyl carbamimidothioate?
The molecular formula of 4-Chlorobenzyl carbamimidothioate is C8H9ClN2S.
What is the molecular weight of 4-Chlorobenzyl carbamimidothioate?
The molecular weight of 4-Chlorobenzyl carbamimidothioate is 200.02 g/mol.
Where can I buy 4-Chlorobenzyl carbamimidothioate?
You can request a quote for 4-Chlorobenzyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.