2,4-dichlorobenzyl carbamimidothioate
TL;DR: 2,4-dichlorobenzyl carbamimidothioate (CAS 93089-44-2) is a chemical compound with molecular formula C8H8Cl2N2S and molecular weight 233.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenyl)methyl carbamimidothioate
Also Known As: 2,4-dichlorobenzyl carbamimidothioate, RRD-251 hydrochloride, Rb-Raf-1 disruptor 251, TimTec1_004054, S-(2,4-dichlorobenzyl)isothiourea
| Molecular Formula | C8H8Cl2N2S |
|---|---|
| Molecular Weight | 233.98 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.97853 |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 93089-44-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CSC(=N)N |
| InChIKey | KTXXYZBSQYXMPO-UHFFFAOYSA-N |
Product Overview
2,4-dichlorobenzyl carbamimidothioate (CAS 93089-44-2), with molecular formula C8H8Cl2N2S and molecular weight 233.98 g/mol. IUPAC: (2,4-dichlorophenyl)methyl carbamimidothioate.
Chemical Property Profile of 2,4-dichlorobenzyl carbamimidothioate
Property Insights of 2,4-dichlorobenzyl carbamimidothioate
The XLogP value of 3.2 indicates that 2,4-dichlorobenzyl carbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dichlorobenzyl carbamimidothioate. Following Lipinski's Rule of Five, 2,4-dichlorobenzyl 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 2,4-dichlorobenzyl carbamimidothioate?
The CAS number of 2,4-dichlorobenzyl carbamimidothioate is 93089-44-2.
What is the molecular formula of 2,4-dichlorobenzyl carbamimidothioate?
The molecular formula of 2,4-dichlorobenzyl carbamimidothioate is C8H8Cl2N2S.
What is the molecular weight of 2,4-dichlorobenzyl carbamimidothioate?
The molecular weight of 2,4-dichlorobenzyl carbamimidothioate is 233.98 g/mol.
Where can I buy 2,4-dichlorobenzyl carbamimidothioate?
You can request a quote for 2,4-dichlorobenzyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dichlorobenzyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dichlorobenzyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.