1-(4-Bromophenyl)-3-ethylthiourea
TL;DR: 1-(4-Bromophenyl)-3-ethylthiourea (CAS 61449-57-8) is a chemical compound with molecular formula C9H11BrN2S and molecular weight 257.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-3-ethylthiourea
Also Known As: 1-(4-bromophenyl)-3-ethylthiourea, N-(4-Bromophenyl)-N'-ethylthiourea, Thiourea, N-(4-bromophenyl)-N'-ethyl-, [(4-bromophenyl)amino](ethylamino)methane-1-thione
| Molecular Formula | C9H11BrN2S |
|---|---|
| Molecular Weight | 257.98 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.98264 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 61449-57-8 |
|---|---|
| SMILES | CCNC(=S)NC1=CC=C(C=C1)Br |
| InChIKey | QFHYYURUMNLDOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Bromophenyl)-3-ethylthiourea (CAS 61449-57-8), with molecular formula C9H11BrN2S and molecular weight 257.98 g/mol. IUPAC: 1-(4-bromophenyl)-3-ethylthiourea.
Chemical Property Profile of 1-(4-Bromophenyl)-3-ethylthiourea
Property Insights of 1-(4-Bromophenyl)-3-ethylthiourea
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromophenyl)-3-ethylthiourea. With a topological polar surface area (TPSA) of 56.2 Ų, 1-(4-Bromophenyl)-3-ethylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-3-ethylthiourea 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-(4-Bromophenyl)-3-ethylthiourea?
The CAS number of 1-(4-Bromophenyl)-3-ethylthiourea is 61449-57-8.
What is the molecular formula of 1-(4-Bromophenyl)-3-ethylthiourea?
The molecular formula of 1-(4-Bromophenyl)-3-ethylthiourea is C9H11BrN2S.
What is the molecular weight of 1-(4-Bromophenyl)-3-ethylthiourea?
The molecular weight of 1-(4-Bromophenyl)-3-ethylthiourea is 257.98 g/mol.
Where can I buy 1-(4-Bromophenyl)-3-ethylthiourea?
You can request a quote for 1-(4-Bromophenyl)-3-ethylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromophenyl)-3-ethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-3-ethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.