2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one
TL;DR: 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one (CAS 98335-10-5) is a chemical compound with molecular formula C7H10N2OS and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one
Also Known As: 2-S-Aethyl-2-thio-thymin, 2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one, 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one, 2-(Ethylthio)-5-methylpyrimidin-4(3H)-one, 2-(Ethylthio)-5-methylpyrimidin-4-ol
| Molecular Formula | C7H10N2OS |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.05139 |
| Heavy Atoms | 11 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 98335-10-5 |
|---|---|
| SMILES | CCSC1=NC=C(C(=O)N1)C |
| InChIKey | MPXDEUQRWKVZBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one (CAS 98335-10-5), with molecular formula C7H10N2OS and molecular weight 170.05 g/mol. IUPAC: 2-ethylsulfanyl-5-methyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one
Property Insights of 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one has 1 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 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one?
The CAS number of 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one is 98335-10-5.
What is the molecular formula of 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one?
The molecular formula of 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one is C7H10N2OS.
What is the molecular weight of 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one?
The molecular weight of 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one is 170.05 g/mol.
Where can I buy 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one?
You can request a quote for 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethylsulfanyl)-5-methylpyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.