对氯苄基伪硫脲氯化物
TL;DR: 对氯苄基伪硫脲氯化物 (CAS 544-47-8) is a chemical compound with molecular formula C8H10Cl2N2S and molecular weight 235.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对氯苄基伪硫脲氯化物
(4-chlorophenyl)methyl carbamimidothioate;hydrochloride
Also Known As: p-Chlorobenzylpseudothiuronium chloride, S-(4-Chlorobenzyl)Isothiouronium chloride, 4-CHLOROBENZYL CARBAMIMIDOTHIOATE HYDROCHLORIDE, 2-(p-Chlorobenzyl)isothiouronium chloride, 4-CHLOROBENZYL CARBAMIMIDOTHIOATE HCL
| Molecular Formula | C8H10Cl2N2S |
|---|---|
| Molecular Weight | 235.99 g/mol |
| LogP | 2.89 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.99417 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 544-47-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC(=N)N)Cl.Cl |
| InChIKey | QAVHMIYSTFZJAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对氯苄基伪硫脲氯化物 (CAS 544-47-8), with molecular formula C8H10Cl2N2S and molecular weight 235.99 g/mol. IUPAC: (4-chlorophenyl)methyl carbamimidothioate;hydrochloride.
Chemical Property Profile of 对氯苄基伪硫脲氯化物
Property Insights of 对氯苄基伪硫脲氯化物
The XLogP value of 2.89 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对氯苄基伪硫脲氯化物. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 对氯苄基伪硫脲氯化物. Following Lipinski's Rule of Five, 对氯苄基伪硫脲氯化物 has 3 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 对氯苄基伪硫脲氯化物?
The CAS number of 对氯苄基伪硫脲氯化物 is 544-47-8.
What is the molecular formula of 对氯苄基伪硫脲氯化物?
The molecular formula of 对氯苄基伪硫脲氯化物 is C8H10Cl2N2S.
What is the molecular weight of 对氯苄基伪硫脲氯化物?
The molecular weight of 对氯苄基伪硫脲氯化物 is 235.99 g/mol.
Where can I buy 对氯苄基伪硫脲氯化物?
You can request a quote for 对氯苄基伪硫脲氯化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对氯苄基伪硫脲氯化物?
Yes, KEHONG BIO provides custom synthesis services for 对氯苄基伪硫脲氯化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.