5-Methyl-1,2,3-thiadiazole
TL;DR: 5-Methyl-1,2,3-thiadiazole (CAS 50406-54-7) is a chemical compound with molecular formula C3H4N2S and molecular weight 100.00952 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methylthiadiazole
Also Known As: 5-methylthiadiazole, 5-METHYL-1,2,3-THIADIAZOLE, 1,2,3-Thiadiazole, 5-methyl-, 1,2,3-Thiadiazole,5-methyl, 5-methyl-[1,2,3]thiadiazole
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H4N2S |
| Molecular Weight | 100.00952 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.00952 Da |
| Heavy Atoms | 6 |
| Complexity | 48.0 |
| SMILES | CC1=CN=NS1 |
| InChIKey | PJBPUBIFRFCYHE-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methyl-1,2,3-thiadiazole
Property Insights of 5-Methyl-1,2,3-thiadiazole
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1,2,3-thiadiazole. With a topological polar surface area (TPSA) of 54.0 Ų, 5-Methyl-1,2,3-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1,2,3-thiadiazole has 0 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 5-Methyl-1,2,3-thiadiazole?
The CAS number of 5-Methyl-1,2,3-thiadiazole is 50406-54-7.
What is the molecular formula of 5-Methyl-1,2,3-thiadiazole?
The molecular formula of 5-Methyl-1,2,3-thiadiazole is C3H4N2S.
What is the molecular weight of 5-Methyl-1,2,3-thiadiazole?
The molecular weight of 5-Methyl-1,2,3-thiadiazole is 100.00952 g/mol.
Where can I buy 5-Methyl-1,2,3-thiadiazole?
You can request a quote for 5-Methyl-1,2,3-thiadiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-1,2,3-thiadiazole?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-1,2,3-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.