2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile
TL;DR: 2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile (CAS 338420-98-7) is a chemical compound with molecular formula C9H9N3OS and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxobutan-2-ylsulfanyl)pyrimidine-5-carbonitrile
Also Known As: 2-[(3-oxobutan-2-yl)sulfanyl]pyrimidine-5-carbonitrile, 2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile, 2-[(1-methyl-2-oxopropyl)sulfanyl]-5-pyrimidinecarbonitrile, 2-(3-oxobutan-2-ylsulfanyl)pyrimidine-5-carbonitrile, 4H-047
| Molecular Formula | C9H9N3OS |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.41788 |
| Topological Polar Surface Area | 66.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.04663 |
| Heavy Atoms | 14 |
| Complexity | 368.6386 |
Chemical Identifiers
| CAS Number | 338420-98-7 |
|---|---|
| SMILES | CC(C(=O)C)SC1=NC=C(C=N1)C#N |
Product Overview
2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile (CAS 338420-98-7), with molecular formula C9H9N3OS and molecular weight 207.05 g/mol. IUPAC: 2-(3-oxobutan-2-ylsulfanyl)pyrimidine-5-carbonitrile.
Chemical Property Profile of 2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile
Property Insights of 2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile
The XLogP value of 1.41788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile. The TPSA of 66.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile has 0 hydrogen bond donor(s) and 5 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-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile?
The CAS number of 2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile is 338420-98-7.
What is the molecular formula of 2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile?
The molecular formula of 2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile is C9H9N3OS.
What is the molecular weight of 2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile?
The molecular weight of 2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile is 207.05 g/mol.
Where can I buy 2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile?
You can request a quote for 2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-Methyl-2-oxopropyl)sulfanyl)-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.