1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione
TL;DR: 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione (CAS 392326-93-1) is a chemical compound with molecular formula C16H11BrN2S and molecular weight 341.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromophenyl)-4-phenylpyrimidine-2-thione
Also Known As: 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione, 1-(3-bromophenyl)-4-phenylpyrimidine-2-thione, 1-(3-bromophenyl)-4-phenyl-pyrimidine-2-thione, 3-(3-bromophenyl)-6-phenyl-3-hydropyrimidine-2-thione
| Molecular Formula | C16H11BrN2S |
|---|---|
| Molecular Weight | 341.98 g/mol |
| LogP | 5.03129 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.98264 |
| Heavy Atoms | 20 |
| Complexity | 796.8272 |
Chemical Identifiers
| CAS Number | 392326-93-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=S)N(C=C2)C3=CC(=CC=C3)Br |
Product Overview
1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione (CAS 392326-93-1), with molecular formula C16H11BrN2S and molecular weight 341.98 g/mol. IUPAC: 1-(3-bromophenyl)-4-phenylpyrimidine-2-thione.
Chemical Property Profile of 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione
Property Insights of 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione
The XLogP value of 5.03129 indicates that 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione?
The CAS number of 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione is 392326-93-1.
What is the molecular formula of 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione?
The molecular formula of 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione is C16H11BrN2S.
What is the molecular weight of 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione?
The molecular weight of 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione is 341.98 g/mol.
Where can I buy 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione?
You can request a quote for 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-bromophenyl)-4-phenyl-2(1H)-pyrimidinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.