2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile
TL;DR: 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile (CAS 46118-11-0) is a chemical compound with molecular formula C7H7N3OS and molecular weight 181.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
Also Known As: 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile, 2-ethylthio-4-hydroxy-5-cyanopyrimidine, 2-ethylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile, 2-(ethylthio)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, 2-(ethylthio)-1,6-dihydro-6-oxo-5-Pyrimidinecarbonitrile
| Molecular Formula | C7H7N3OS |
|---|---|
| Molecular Weight | 181.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.03099 |
| Heavy Atoms | 12 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 46118-11-0 |
|---|---|
| SMILES | CCSC1=NC=C(C(=O)N1)C#N |
| InChIKey | OVSLGXCPZPYTLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile (CAS 46118-11-0), with molecular formula C7H7N3OS and molecular weight 181.03 g/mol. IUPAC: 2-ethylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile
Property Insights of 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile has 1 hydrogen bond donor(s) and 4 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 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile?
The CAS number of 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile is 46118-11-0.
What is the molecular formula of 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile?
The molecular formula of 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile is C7H7N3OS.
What is the molecular weight of 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile?
The molecular weight of 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile is 181.03 g/mol.
Where can I buy 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile?
You can request a quote for 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethylthio)-4-hydroxypyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.