![7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate structure](/static/products/968/96821-61-3.png)
7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate
TL;DR: 7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate (CAS 96821-61-3) is a chemical compound with molecular formula C12H9N3S2 and molecular weight 259.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate
Also Known As: 7-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate
| Molecular Formula | C12H9N3S2 |
|---|---|
| Molecular Weight | 259.02 g/mol |
| LogP | 2.15802 |
| Topological Polar Surface Area | 29.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0238 |
| Heavy Atoms | 17 |
| Complexity | 676.7835 |
Chemical Identifiers
| CAS Number | 96821-61-3 |
|---|---|
| SMILES | CC1=CC(=[N+]2C(=N1)SC(=N2)[S-])C3=CC=CC=C3 |
Product Overview
7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate (CAS 96821-61-3), with molecular formula C12H9N3S2 and molecular weight 259.02 g/mol. IUPAC: 7-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate.
Chemical Property Profile of 7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate
Property Insights of 7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate
The XLogP value of 2.15802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate. With a topological polar surface area (TPSA) of 29.88 Ų, 7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate has 0 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-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate?
The CAS number of 7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate is 96821-61-3.
What is the molecular formula of 7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate?
The molecular formula of 7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate is C12H9N3S2.
What is the molecular weight of 7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate?
The molecular weight of 7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate is 259.02 g/mol.
Where can I buy 7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate?
You can request a quote for 7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.