1,3,4-Thiadiazole
TL;DR: 1,3,4-Thiadiazole (CAS 289-06-5) is a chemical compound with molecular formula C2H2N2S and molecular weight 85.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,4-thiadiazole
Also Known As: 1,3,4-Thiadiazole, Thiadiazole, 4-thiadiazole, Thiadiazoles, 3,4-Diazathiophene
| Molecular Formula | C2H2N2S |
|---|---|
| Molecular Weight | 85.99 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 85.993866 |
| Heavy Atoms | 5 |
| Complexity | 26.0 |
Chemical Identifiers
| CAS Number | 289-06-5 |
|---|---|
| SMILES | C1=NN=CS1 |
| InChIKey | MBIZXFATKUQOOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,4-Thiadiazole (CAS 289-06-5), with molecular formula C2H2N2S and molecular weight 85.99 g/mol. IUPAC: 1,3,4-thiadiazole.
Chemical Property Profile of 1,3,4-Thiadiazole
Property Insights of 1,3,4-Thiadiazole
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Thiadiazole. With a topological polar surface area (TPSA) of 54.0 Ų, 1,3,4-Thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-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
Frequently Asked Questions
What is the CAS number of 1,3,4-Thiadiazole?
The CAS number of 1,3,4-Thiadiazole is 289-06-5.
What is the molecular formula of 1,3,4-Thiadiazole?
The molecular formula of 1,3,4-Thiadiazole is C2H2N2S.
What is the molecular weight of 1,3,4-Thiadiazole?
The molecular weight of 1,3,4-Thiadiazole is 85.99 g/mol.
Where can I buy 1,3,4-Thiadiazole?
You can request a quote for 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 1,3,4-Thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.