1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol
TL;DR: 1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol (CAS 37489-47-7) is a chemical compound with molecular formula C13H15BrN2S and molecular weight 310.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
Also Known As: 1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol, J1.008.835F, 3-(4-bromophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione, 2-pyrimidinethiol, 1-(4-bromophenyl)-1,4-dihydro-4,4,6-trimethyl-, 1(4-bromophenyl) 4,4,6-trimethyl (1h,4h)-pyrimidine-2-thiol
| Molecular Formula | C13H15BrN2S |
|---|---|
| Molecular Weight | 310.01 g/mol |
| LogP | 3.826 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.01392 |
| Heavy Atoms | 17 |
| Complexity | 476.69775 |
Chemical Identifiers
| CAS Number | 37489-47-7 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=CC=C(C=C2)Br)(C)C |
Product Overview
1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol (CAS 37489-47-7), with molecular formula C13H15BrN2S and molecular weight 310.01 g/mol. IUPAC: 3-(4-bromophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol
Property Insights of 1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol
The XLogP value of 3.826 indicates that 1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, 1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol has 1 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)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol?
The CAS number of 1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol is 37489-47-7.
What is the molecular formula of 1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol?
The molecular formula of 1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol is C13H15BrN2S.
What is the molecular weight of 1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol?
The molecular weight of 1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol is 310.01 g/mol.
Where can I buy 1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol?
You can request a quote for 1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol 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)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.