1-(3-Chlorobenzyl)-3-phenylthiourea
TL;DR: 1-(3-Chlorobenzyl)-3-phenylthiourea (CAS 57294-96-9) is a chemical compound with molecular formula C14H13ClN2S and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-chlorophenyl)methyl]-3-phenylthiourea
Also Known As: 1-(3-Chlorobenzyl)-3-phenylthiourea, 1-[(3-chlorophenyl)methyl]-3-phenylthiourea, N-(3-chlorobenzyl)-N'-phenylthiourea, N-[(3-Chlorophenyl)methyl]-N'-phenylthiourea, RefChem:854846
| Molecular Formula | C14H13ClN2S |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 3.8266 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.0488 |
| Heavy Atoms | 18 |
| Complexity | 528.327 |
Chemical Identifiers
| CAS Number | 57294-96-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NCC2=CC(=CC=C2)Cl |
Product Overview
1-(3-Chlorobenzyl)-3-phenylthiourea (CAS 57294-96-9), with molecular formula C14H13ClN2S and molecular weight 276.05 g/mol. IUPAC: 1-[(3-chlorophenyl)methyl]-3-phenylthiourea.
Chemical Property Profile of 1-(3-Chlorobenzyl)-3-phenylthiourea
Property Insights of 1-(3-Chlorobenzyl)-3-phenylthiourea
The XLogP value of 3.8266 indicates that 1-(3-Chlorobenzyl)-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 1-(3-Chlorobenzyl)-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorobenzyl)-3-phenylthiourea 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 1-(3-Chlorobenzyl)-3-phenylthiourea?
The CAS number of 1-(3-Chlorobenzyl)-3-phenylthiourea is 57294-96-9.
What is the molecular formula of 1-(3-Chlorobenzyl)-3-phenylthiourea?
The molecular formula of 1-(3-Chlorobenzyl)-3-phenylthiourea is C14H13ClN2S.
What is the molecular weight of 1-(3-Chlorobenzyl)-3-phenylthiourea?
The molecular weight of 1-(3-Chlorobenzyl)-3-phenylthiourea is 276.05 g/mol.
Where can I buy 1-(3-Chlorobenzyl)-3-phenylthiourea?
You can request a quote for 1-(3-Chlorobenzyl)-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorobenzyl)-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorobenzyl)-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.