2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
TL;DR: 2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile (CAS 150807-99-1) is a chemical compound with molecular formula C7H7N3OS2 and molecular weight 213.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-bis(methylsulfanyl)-6-oxo-1H-pyrimidine-5-carbonitrile
Also Known As: 2,4-bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile, AP-782/41885452, 2,4-bis(methylsulfanyl)-6-oxo-1H-pyrimidine-5-carbonitrile, 2,6-dimethylthio-4-oxo-3-hydropyrimidine-5-carbonitrile, 2,4-Bis(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
| Molecular Formula | C7H7N3OS2 |
|---|---|
| Molecular Weight | 213.00 g/mol |
| LogP | 1.08538 |
| Topological Polar Surface Area | 69.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.00305 |
| Heavy Atoms | 13 |
| Complexity | 407.17917 |
Chemical Identifiers
| CAS Number | 150807-99-1 |
|---|---|
| SMILES | CSC1=C(C(=O)NC(=N1)SC)C#N |
Product Overview
2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile (CAS 150807-99-1), with molecular formula C7H7N3OS2 and molecular weight 213.00 g/mol. IUPAC: 2,4-bis(methylsulfanyl)-6-oxo-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
Property Insights of 2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
The XLogP value of 1.08538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile. The TPSA of 69.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile has 1 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 2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile?
The CAS number of 2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile is 150807-99-1.
What is the molecular formula of 2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile?
The molecular formula of 2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile is C7H7N3OS2.
What is the molecular weight of 2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile?
The molecular weight of 2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile is 213.00 g/mol.
Where can I buy 2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile?
You can request a quote for 2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.