5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one
TL;DR: 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one (CAS 72812-45-4) is a chemical compound with molecular formula C4H3BrN2OS and molecular weight 205.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-4-sulfanylidene-1H-pyrimidin-2-one
Also Known As: 5-bromo-4-thiouracil, 5-Bromo-2-hydroxy-4-pyrimidinethiol, 5-bromo-4-sulfanylidene-1H-pyrimidin-2-one, 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one, 5-Bromo-4-thioxo-3,4-dihydro-1H-pyrimidin-2-one
| Molecular Formula | C4H3BrN2OS |
|---|---|
| Molecular Weight | 205.91 g/mol |
| LogP | 1.19499 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.91495 |
| Heavy Atoms | 9 |
| Complexity | 314.83395 |
Chemical Identifiers
| CAS Number | 72812-45-4 |
|---|---|
| SMILES | C1=C(C(=S)NC(=O)N1)Br |
Product Overview
5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one (CAS 72812-45-4), with molecular formula C4H3BrN2OS and molecular weight 205.91 g/mol. IUPAC: 5-bromo-4-sulfanylidene-1H-pyrimidin-2-one.
Chemical Property Profile of 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one
Property Insights of 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one
The XLogP value of 1.19499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one. With a topological polar surface area (TPSA) of 48.65 Ų, 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one has 2 hydrogen bond donor(s) and 2 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 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one?
The CAS number of 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one is 72812-45-4.
What is the molecular formula of 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one?
The molecular formula of 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one is C4H3BrN2OS.
What is the molecular weight of 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one?
The molecular weight of 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one is 205.91 g/mol.
Where can I buy 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one?
You can request a quote for 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.