2-Methyl-5-nitro-1,3,4-thiadiazole
TL;DR: 2-Methyl-5-nitro-1,3,4-thiadiazole (CAS 26803-18-9) is a chemical compound with molecular formula C3H3N3O2S and molecular weight 144.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-nitro-1,3,4-thiadiazole
Also Known As: 2-methyl-5-nitro-1,3,4-thiadiazole, NCIOpen2_001584, 1,3,4-Thiadiazole,2-methyl-5-nitro-, 1,3,4-THIADIAZOLE, 2-METHYL-5-NITRO-, 1,3,4-Thiadiazole, 2-methyl-5-nitro- (8CI, 9CI)
| Molecular Formula | C3H3N3O2S |
|---|---|
| Molecular Weight | 144.99 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.9946 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 26803-18-9 |
|---|---|
| SMILES | CC1=NN=C(S1)[N+](=O)[O-] |
| InChIKey | KGKVEVRIPDSTOO-UHFFFAOYSA-N |
Product Overview
2-Methyl-5-nitro-1,3,4-thiadiazole (CAS 26803-18-9), with molecular formula C3H3N3O2S and molecular weight 144.99 g/mol. IUPAC: 2-methyl-5-nitro-1,3,4-thiadiazole.
Chemical Property Profile of 2-Methyl-5-nitro-1,3,4-thiadiazole
Property Insights of 2-Methyl-5-nitro-1,3,4-thiadiazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-nitro-1,3,4-thiadiazole. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-nitro-1,3,4-thiadiazole. Following Lipinski's Rule of Five, 2-Methyl-5-nitro-1,3,4-thiadiazole has 0 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-Methyl-5-nitro-1,3,4-thiadiazole?
The CAS number of 2-Methyl-5-nitro-1,3,4-thiadiazole is 26803-18-9.
What is the molecular formula of 2-Methyl-5-nitro-1,3,4-thiadiazole?
The molecular formula of 2-Methyl-5-nitro-1,3,4-thiadiazole is C3H3N3O2S.
What is the molecular weight of 2-Methyl-5-nitro-1,3,4-thiadiazole?
The molecular weight of 2-Methyl-5-nitro-1,3,4-thiadiazole is 144.99 g/mol.
Where can I buy 2-Methyl-5-nitro-1,3,4-thiadiazole?
You can request a quote for 2-Methyl-5-nitro-1,3,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-nitro-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-nitro-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.