![2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one structure](/static/products/5294/52948-43-3.webp)
2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
TL;DR: 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CAS 52948-43-3) 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.
2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
Also Known As: 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one, Thiazolo[5,4-d]pyrimidin-7(4H)-one, 2-(methylthio)-, 2-(Methylsulfanyl)[1,3]thiazolo[5,4-d]pyrimidin-7(6H)-one
| Molecular Formula | C6H5N3OS2 |
|---|---|
| Molecular Weight | 198.99 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.98741 |
| Heavy Atoms | 12 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 52948-43-3 |
|---|---|
| SMILES | CSC1=NC2=C(S1)N=CNC2=O |
| InChIKey | LXVWBVAOOCQCIF-UHFFFAOYSA-N |
Product Overview
2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CAS 52948-43-3), with molecular formula C6H5N3OS2 and molecular weight 198.99 g/mol. IUPAC: 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
Chemical Property Profile of 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
Property Insights of 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one. Following Lipinski's Rule of Five, 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one has 1 hydrogen bond donor(s) and 5 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-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The CAS number of 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is 52948-43-3.
What is the molecular formula of 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The molecular formula of 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is C6H5N3OS2.
What is the molecular weight of 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The molecular weight of 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is 198.99 g/mol.
Where can I buy 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
You can request a quote for 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-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-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 2-methylsulfanyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.