6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one (CAS 132938-38-6) is a chemical compound with molecular formula C8H8N2OS and molecular weight 180.03574 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-propargyl-6-methyl-2-thiouracil, 5F-906, 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one, 6-methyl-5-prop-2-ynyl-2-thioxo-1H-pyrimidin-4-one, 6-Methyl-5-(2-propynyl)-2-thio-4(1H,3H)-pyrimidinone
Technical Specifications
| Molecular Formula | C8H8N2OS |
| Molecular Weight | 180.03574 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.03574 Da |
| Heavy Atoms | 12 |
| Complexity | 321.0 |
| SMILES | CC1=C(C(=O)NC(=S)N1)CC#C |
| InChIKey | OZGWGBPFBSKPTN-UHFFFAOYSA-N |
Chemical Property Profile of 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one is 132938-38-6.
What is the molecular formula of 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one is C8H8N2OS.
What is the molecular weight of 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one is 180.03574 g/mol.
Where can I buy 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, CoreyChem provides custom synthesis services for 6-methyl-5-prop-2-ynyl-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.