5-Dihydroxyboryl-2-thiouracil
TL;DR: 5-Dihydroxyboryl-2-thiouracil (CAS 125177-38-0) is a chemical compound with molecular formula C4H5BN2O3S and molecular weight 172.0114 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)boronic acid
Also Known As: 5-Dihydroxyboryl-2-thiouracil, (4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)boronic acid, 4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-ylboronic acid, Boronic acid,(1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinyl)- (9CI), (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid
Technical Specifications
| Molecular Formula | C4H5BN2O3S |
| Molecular Weight | 172.0114 g/mol |
| XLogP | -1.88771 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.0114 Da |
| Heavy Atoms | 11 |
| Complexity | 239.0 |
| SMILES | B(C1=CNC(=S)NC1=O)(O)O |
| InChIKey | IYECIXPSVBLTTP-UHFFFAOYSA-N |
Chemical Property Profile of 5-Dihydroxyboryl-2-thiouracil
Property Insights of 5-Dihydroxyboryl-2-thiouracil
The XLogP value of -1.88771 indicates that 5-Dihydroxyboryl-2-thiouracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Dihydroxyboryl-2-thiouracil. Following Lipinski's Rule of Five, 5-Dihydroxyboryl-2-thiouracil has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Dihydroxyboryl-2-thiouracil?
The CAS number of 5-Dihydroxyboryl-2-thiouracil is 125177-38-0.
What is the molecular formula of 5-Dihydroxyboryl-2-thiouracil?
The molecular formula of 5-Dihydroxyboryl-2-thiouracil is C4H5BN2O3S.
What is the molecular weight of 5-Dihydroxyboryl-2-thiouracil?
The molecular weight of 5-Dihydroxyboryl-2-thiouracil is 172.0114 g/mol.
Where can I buy 5-Dihydroxyboryl-2-thiouracil?
You can request a quote for 5-Dihydroxyboryl-2-thiouracil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Dihydroxyboryl-2-thiouracil?
Yes, CoreyChem provides custom synthesis services for 5-Dihydroxyboryl-2-thiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.