2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
TL;DR: 2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one (CAS 79005-59-7) is a chemical compound with molecular formula C8H10N2OS and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one
Also Known As: 5-Allyl-2-(methylthio)pyrimidin-4(3H)-one, 2-methylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one, 2-(methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one, RefChem:254337
| Molecular Formula | C8H10N2OS |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.05139 |
| Heavy Atoms | 12 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 79005-59-7 |
|---|---|
| SMILES | CSC1=NC=C(C(=O)N1)CC=C |
| InChIKey | JBGBJNUXJCKNBD-UHFFFAOYSA-N |
Product Overview
2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one (CAS 79005-59-7), with molecular formula C8H10N2OS and molecular weight 182.05 g/mol. IUPAC: 2-methylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
Property Insights of 2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-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-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one?
The CAS number of 2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one is 79005-59-7.
What is the molecular formula of 2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one?
The molecular formula of 2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one is C8H10N2OS.
What is the molecular weight of 2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one?
The molecular weight of 2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one is 182.05 g/mol.
Where can I buy 2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one?
You can request a quote for 2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-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-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.