2-Nitro-1,3,4-thiadiazole
TL;DR: 2-Nitro-1,3,4-thiadiazole (CAS 16128-96-4) is a chemical compound with molecular formula C2HN3O2S and molecular weight 130.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-1,3,4-thiadiazole
Also Known As: 2-nitro-1,3,4-thiadiazole, 1,3,4-Thiadiazole,2-nitro, 1,3,4-Thiadiazole,2-nitro-
| Molecular Formula | C2HN3O2S |
|---|---|
| Molecular Weight | 130.98 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.97894 |
| Heavy Atoms | 8 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 16128-96-4 |
|---|---|
| SMILES | C1=NN=C(S1)[N+](=O)[O-] |
| InChIKey | JQMZIFITLRHNAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-1,3,4-thiadiazole (CAS 16128-96-4), with molecular formula C2HN3O2S and molecular weight 130.98 g/mol. IUPAC: 2-nitro-1,3,4-thiadiazole.
Chemical Property Profile of 2-Nitro-1,3,4-thiadiazole
Property Insights of 2-Nitro-1,3,4-thiadiazole
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-1,3,4-thiadiazole. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-1,3,4-thiadiazole. Following Lipinski's Rule of Five, 2-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-Nitro-1,3,4-thiadiazole?
The CAS number of 2-Nitro-1,3,4-thiadiazole is 16128-96-4.
What is the molecular formula of 2-Nitro-1,3,4-thiadiazole?
The molecular formula of 2-Nitro-1,3,4-thiadiazole is C2HN3O2S.
What is the molecular weight of 2-Nitro-1,3,4-thiadiazole?
The molecular weight of 2-Nitro-1,3,4-thiadiazole is 130.98 g/mol.
Where can I buy 2-Nitro-1,3,4-thiadiazole?
You can request a quote for 2-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-Nitro-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.