1-(4-Bromophenyl)sulfonyl-3-phenylthiourea
TL;DR: 1-(4-Bromophenyl)sulfonyl-3-phenylthiourea (CAS 42113-68-8) is a chemical compound with molecular formula C13H11BrN2O2S2 and molecular weight 369.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)sulfonyl-3-phenylthiourea
Also Known As: 1-(4-bromophenyl)sulfonyl-3-phenylthiourea, Benzenesulfonamide, 4-bromo-N-[(phenylamino)thioxomethyl]-, [(4-bromophenyl)sulfonyl][(phenylamino)thioxomethyl]amine, 4-Bromo-N-(phenylcarbamothioyl)benzene-1-sulfonamide
| Molecular Formula | C13H11BrN2O2S2 |
|---|---|
| Molecular Weight | 369.94 g/mol |
| LogP | 3.1244 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.94452 |
| Heavy Atoms | 20 |
| Complexity | 700.9108 |
Chemical Identifiers
| CAS Number | 42113-68-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NS(=O)(=O)C2=CC=C(C=C2)Br |
Product Overview
1-(4-Bromophenyl)sulfonyl-3-phenylthiourea (CAS 42113-68-8), with molecular formula C13H11BrN2O2S2 and molecular weight 369.94 g/mol. IUPAC: 1-(4-bromophenyl)sulfonyl-3-phenylthiourea.
Chemical Property Profile of 1-(4-Bromophenyl)sulfonyl-3-phenylthiourea
Property Insights of 1-(4-Bromophenyl)sulfonyl-3-phenylthiourea
The XLogP value of 3.1244 indicates that 1-(4-Bromophenyl)sulfonyl-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 1-(4-Bromophenyl)sulfonyl-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)sulfonyl-3-phenylthiourea has 2 hydrogen bond donor(s) and 3 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)sulfonyl-3-phenylthiourea?
The CAS number of 1-(4-Bromophenyl)sulfonyl-3-phenylthiourea is 42113-68-8.
What is the molecular formula of 1-(4-Bromophenyl)sulfonyl-3-phenylthiourea?
The molecular formula of 1-(4-Bromophenyl)sulfonyl-3-phenylthiourea is C13H11BrN2O2S2.
What is the molecular weight of 1-(4-Bromophenyl)sulfonyl-3-phenylthiourea?
The molecular weight of 1-(4-Bromophenyl)sulfonyl-3-phenylthiourea is 369.94 g/mol.
Where can I buy 1-(4-Bromophenyl)sulfonyl-3-phenylthiourea?
You can request a quote for 1-(4-Bromophenyl)sulfonyl-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-(4-Bromophenyl)sulfonyl-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)sulfonyl-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.