2,4-Dichlorobenzylisothiourea
TL;DR: 2,4-Dichlorobenzylisothiourea (CAS 101080-62-0) 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)methylthiourea
Also Known As: 2,4-dichlorobenzylisothiourea, 1-(2,4-dichlorobenzyl)thiourea, (2,4-dichlorophenyl)methylthiourea, 2,4-Dichlorobenzyl imidothiocarbamate, 2,4-Dichlorobenzyl imidothiocarbamate #
| Molecular Formula | C8H8Cl2N2S |
|---|---|
| Molecular Weight | 233.98 g/mol |
| LogP | 2.3266 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.97853 |
| Heavy Atoms | 13 |
| Complexity | 327.9201 |
Chemical Identifiers
| CAS Number | 101080-62-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CNC(=S)N |
Product Overview
2,4-Dichlorobenzylisothiourea (CAS 101080-62-0), with molecular formula C8H8Cl2N2S and molecular weight 233.98 g/mol. IUPAC: (2,4-dichlorophenyl)methylthiourea.
Chemical Property Profile of 2,4-Dichlorobenzylisothiourea
Property Insights of 2,4-Dichlorobenzylisothiourea
The XLogP value of 2.3266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dichlorobenzylisothiourea. With a topological polar surface area (TPSA) of 38.05 Ų, 2,4-Dichlorobenzylisothiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichlorobenzylisothiourea 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 2,4-Dichlorobenzylisothiourea?
The CAS number of 2,4-Dichlorobenzylisothiourea is 101080-62-0.
What is the molecular formula of 2,4-Dichlorobenzylisothiourea?
The molecular formula of 2,4-Dichlorobenzylisothiourea is C8H8Cl2N2S.
What is the molecular weight of 2,4-Dichlorobenzylisothiourea?
The molecular weight of 2,4-Dichlorobenzylisothiourea is 233.98 g/mol.
Where can I buy 2,4-Dichlorobenzylisothiourea?
You can request a quote for 2,4-Dichlorobenzylisothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichlorobenzylisothiourea?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorobenzylisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.