6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one (CAS 6312-74-9) is a chemical compound with molecular formula C4H4BrN3OS and molecular weight 220.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-bromo-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 6-amino-5-bromo-2-sulfanylidene-1H-pyrimidin-4-one, 6-Amino-5-bromo-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one, 6-amino-5-bromo-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one, 4(1H)-Pyrimidinone, 6-amino-5-bromo-2,3-dihydro-2-thioxo-
| Molecular Formula | C4H4BrN3OS |
|---|---|
| Molecular Weight | 220.93 g/mol |
| LogP | 0.77719 |
| Topological Polar Surface Area | 74.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.92586 |
| Heavy Atoms | 10 |
| Complexity | 354.2557 |
Chemical Identifiers
| CAS Number | 6312-74-9 |
|---|---|
| SMILES | C1(=C(NC(=S)NC1=O)N)Br |
Product Overview
6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one (CAS 6312-74-9), with molecular formula C4H4BrN3OS and molecular weight 220.93 g/mol. IUPAC: 6-amino-5-bromo-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 0.77719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 74.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one has 3 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 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one is 6312-74-9.
What is the molecular formula of 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one is C4H4BrN3OS.
What is the molecular weight of 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one is 220.93 g/mol.
Where can I buy 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-5-bromo-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.