![7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one structure](/static/products/6896/68967-31-7.webp)
7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
TL;DR: 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CAS 68967-31-7) is a chemical compound with molecular formula C6H5N3OS2 and molecular weight 198.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-2-sulfanylidene-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Also Known As: 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, 7-methyl-2-sulfanylidene-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, 2-mercapto-7-methyl-5-oxo-5h-1,3,4-thiadiazolo[3,2-a]-pyrimidine, 2-mercapto-7-methyl-5-oxo-5H-1,3,4-thiadiazolo[3,2-a]pyrimidine, 7-methyl-2-thioxo-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
| Molecular Formula | C6H5N3OS2 |
|---|---|
| Molecular Weight | 198.99 g/mol |
| LogP | 1.12201 |
| Topological Polar Surface Area | 50.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.98741 |
| Heavy Atoms | 12 |
| Complexity | 535.45215 |
Chemical Identifiers
| CAS Number | 68967-31-7 |
|---|---|
| SMILES | CC1=CC(=O)N2C(=N1)SC(=S)N2 |
Product Overview
7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CAS 68967-31-7), with molecular formula C6H5N3OS2 and molecular weight 198.99 g/mol. IUPAC: 7-methyl-2-sulfanylidene-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
Chemical Property Profile of 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Property Insights of 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
The XLogP value of 1.12201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one. With a topological polar surface area (TPSA) of 50.16 Ų, 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has 1 hydrogen bond donor(s) and 4 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 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The CAS number of 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is 68967-31-7.
What is the molecular formula of 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The molecular formula of 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is C6H5N3OS2.
What is the molecular weight of 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The molecular weight of 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is 198.99 g/mol.
Where can I buy 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
You can request a quote for 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.