4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile
TL;DR: 4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile (CAS 23945-49-5) is a chemical compound with molecular formula C5H3N3OS and molecular weight 153.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
Also Known As: 5-cyano-2-thiouracil, 2-MERCAPTO-4-HYDROXY-5-CYANOPYRIMIDINE, (Chloromethyl)naphthalene, 4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 4-hydroxy-2-sulfanylpyrimidine-5-carbonitrile
| Molecular Formula | C5H3N3OS |
|---|---|
| Molecular Weight | 153.00 g/mol |
| LogP | 0.30417 |
| Topological Polar Surface Area | 72.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.99968 |
| Heavy Atoms | 10 |
| Complexity | 382.86002 |
Chemical Identifiers
| CAS Number | 23945-49-5 |
|---|---|
| SMILES | C1=C(C(=O)NC(=S)N1)C#N |
Product Overview
4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile (CAS 23945-49-5), with molecular formula C5H3N3OS and molecular weight 153.00 g/mol. IUPAC: 4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile
Property Insights of 4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile
The XLogP value of 0.30417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile. The TPSA of 72.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile has 2 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 4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile?
The CAS number of 4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile is 23945-49-5.
What is the molecular formula of 4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile?
The molecular formula of 4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile is C5H3N3OS.
What is the molecular weight of 4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile?
The molecular weight of 4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile is 153.00 g/mol.
Where can I buy 4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile?
You can request a quote for 4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2-sulfanylpyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.