2-(Methylthio)-4-pyrimidinecarbonitrile
TL;DR: 2-(Methylthio)-4-pyrimidinecarbonitrile (CAS 1124-75-0) is a chemical compound with molecular formula C6H5N3S and molecular weight 151.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylpyrimidine-4-carbonitrile
Also Known As: 2-(Methylthio)-4-pyrimidinecarbonitrile, 2-(Methylthio)pyrimidine-4-carbonitrile, 2-methylsulfanylpyrimidine-4-carbonitrile, 6-Cyano-2-methylthiopyrimidine, 2-(methylsulfanyl)pyrimidine-4-carbonitrile
| Molecular Formula | C6H5N3S |
|---|---|
| Molecular Weight | 151.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.02042 |
| Heavy Atoms | 10 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 1124-75-0 |
|---|---|
| SMILES | CSC1=NC=CC(=N1)C#N |
| InChIKey | HOMZHGIUBGGGEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylthio)-4-pyrimidinecarbonitrile (CAS 1124-75-0), with molecular formula C6H5N3S and molecular weight 151.02 g/mol. IUPAC: 2-methylsulfanylpyrimidine-4-carbonitrile.
Chemical Property Profile of 2-(Methylthio)-4-pyrimidinecarbonitrile
Property Insights of 2-(Methylthio)-4-pyrimidinecarbonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)-4-pyrimidinecarbonitrile. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylthio)-4-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 2-(Methylthio)-4-pyrimidinecarbonitrile has 0 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-(Methylthio)-4-pyrimidinecarbonitrile?
The CAS number of 2-(Methylthio)-4-pyrimidinecarbonitrile is 1124-75-0.
What is the molecular formula of 2-(Methylthio)-4-pyrimidinecarbonitrile?
The molecular formula of 2-(Methylthio)-4-pyrimidinecarbonitrile is C6H5N3S.
What is the molecular weight of 2-(Methylthio)-4-pyrimidinecarbonitrile?
The molecular weight of 2-(Methylthio)-4-pyrimidinecarbonitrile is 151.02 g/mol.
Where can I buy 2-(Methylthio)-4-pyrimidinecarbonitrile?
You can request a quote for 2-(Methylthio)-4-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)-4-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)-4-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.