2-(allylsulfanyl)-4(3H)-pyrimidinone
TL;DR: 2-(allylsulfanyl)-4(3H)-pyrimidinone (CAS 31170-22-6) is a chemical compound with molecular formula C7H8N2OS and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-enylsulfanyl-1H-pyrimidin-6-one
Also Known As: 2-(allylsulfanyl)-4(3H)-pyrimidinone, 2-allylthiopyrimidin-4(3h)-one, 2-prop-2-enylsulfanyl-1H-pyrimidin-6-one, 2-ALLYLSULFANYL-PYRIMIDIN-4-OL, 2-(prop-2-en-1-ylsulfanyl)pyrimidin-4-ol
| Molecular Formula | C7H8N2OS |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.03574 |
| Heavy Atoms | 11 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 31170-22-6 |
|---|---|
| SMILES | C=CCSC1=NC=CC(=O)N1 |
| InChIKey | IXYYEODNJXCPPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(allylsulfanyl)-4(3H)-pyrimidinone (CAS 31170-22-6), with molecular formula C7H8N2OS and molecular weight 168.04 g/mol. IUPAC: 2-prop-2-enylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(allylsulfanyl)-4(3H)-pyrimidinone
Property Insights of 2-(allylsulfanyl)-4(3H)-pyrimidinone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(allylsulfanyl)-4(3H)-pyrimidinone. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(allylsulfanyl)-4(3H)-pyrimidinone. Following Lipinski's Rule of Five, 2-(allylsulfanyl)-4(3H)-pyrimidinone 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-(allylsulfanyl)-4(3H)-pyrimidinone?
The CAS number of 2-(allylsulfanyl)-4(3H)-pyrimidinone is 31170-22-6.
What is the molecular formula of 2-(allylsulfanyl)-4(3H)-pyrimidinone?
The molecular formula of 2-(allylsulfanyl)-4(3H)-pyrimidinone is C7H8N2OS.
What is the molecular weight of 2-(allylsulfanyl)-4(3H)-pyrimidinone?
The molecular weight of 2-(allylsulfanyl)-4(3H)-pyrimidinone is 168.04 g/mol.
Where can I buy 2-(allylsulfanyl)-4(3H)-pyrimidinone?
You can request a quote for 2-(allylsulfanyl)-4(3H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(allylsulfanyl)-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(allylsulfanyl)-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.