5-Cyano-1,2,3-thiadiazole
TL;DR: 5-Cyano-1,2,3-thiadiazole (CAS 57352-02-0) is a chemical compound with molecular formula C3HN3S and molecular weight 110.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiadiazole-5-carbonitrile
Also Known As: 5-Cyano-1,2,3-thiadiazole, thiadiazole-5-carbonitrile, 1,2,3-Thiadiazole-5-carbonitrile, 1,2,3-Thiadiazole-5-carbonitrile #
| Molecular Formula | C3HN3S |
|---|---|
| Molecular Weight | 110.99 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.98912 |
| Heavy Atoms | 7 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 57352-02-0 |
|---|---|
| SMILES | C1=C(SN=N1)C#N |
| InChIKey | RMYKOFBFMSOHTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Cyano-1,2,3-thiadiazole (CAS 57352-02-0), with molecular formula C3HN3S and molecular weight 110.99 g/mol. IUPAC: thiadiazole-5-carbonitrile.
Chemical Property Profile of 5-Cyano-1,2,3-thiadiazole
Property Insights of 5-Cyano-1,2,3-thiadiazole
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Cyano-1,2,3-thiadiazole. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Cyano-1,2,3-thiadiazole. Following Lipinski's Rule of Five, 5-Cyano-1,2,3-thiadiazole has 0 hydrogen bond donor(s) and 4 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 5-Cyano-1,2,3-thiadiazole?
The CAS number of 5-Cyano-1,2,3-thiadiazole is 57352-02-0.
What is the molecular formula of 5-Cyano-1,2,3-thiadiazole?
The molecular formula of 5-Cyano-1,2,3-thiadiazole is C3HN3S.
What is the molecular weight of 5-Cyano-1,2,3-thiadiazole?
The molecular weight of 5-Cyano-1,2,3-thiadiazole is 110.99 g/mol.
Where can I buy 5-Cyano-1,2,3-thiadiazole?
You can request a quote for 5-Cyano-1,2,3-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyano-1,2,3-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyano-1,2,3-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.