2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL
TL;DR: 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL (CAS 107518-49-0) is a chemical compound with molecular formula C13H12N4OS and molecular weight 272.07318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: 2-Benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, SDCCGSBI-0139152.P001, 2-benzylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 1-isopropyldihydropyrimidine-2,4(1h,3h)-dione, 11D-541
Technical Specifications
| Molecular Formula | C13H12N4OS |
| Molecular Weight | 272.07318 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 82.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.07318 Da |
| Heavy Atoms | 19 |
| Complexity | 477.0 |
| SMILES | CC1=CC(=O)N2C(=N1)N=C(N2)SCC3=CC=CC=C3 |
| InChIKey | UDFQYYGCNPFPBZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL
Property Insights of 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL. Following Lipinski's Rule of Five, 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL 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
What is the CAS number of 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL?
The CAS number of 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL is 107518-49-0.
What is the molecular formula of 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL?
The molecular formula of 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL is C13H12N4OS.
What is the molecular weight of 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL?
The molecular weight of 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL is 272.07318 g/mol.
Where can I buy 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL?
You can request a quote for 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL?
Yes, CoreyChem provides custom synthesis services for 2-Benzylthio-5-methyl-S-triazolo(1,5-A)pyrimidin-7-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.