(4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile
TL;DR: (4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile (CAS 161837-85-0) is a chemical compound with molecular formula C3N4O3S and molecular weight 171.96912 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-nitro-1,2,5-oxadiazol-3-yl) thiocyanate
Also Known As: ZERO/008165, 3-Nitro-4-thiocyanato-1,2,5-oxadiazole, 4-Nitro-1,2,5-oxadiazol-3-yl thiocyanate, (4-nitro-1,2,5-oxadiazol-3-yl) thiocyanate, (4-nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile
Technical Specifications
| Molecular Formula | C3N4O3S |
| Molecular Weight | 171.96912 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.96912 Da |
| Heavy Atoms | 11 |
| Complexity | 206.0 |
| SMILES | C(#N)SC1=NON=C1[N+](=O)[O-] |
| InChIKey | ZEKOIYRKEFGUOH-UHFFFAOYSA-N |
Chemical Property Profile of (4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile
Property Insights of (4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile. Following Lipinski's Rule of Five, (4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile?
The CAS number of (4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile is 161837-85-0.
What is the molecular formula of (4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile?
The molecular formula of (4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile is C3N4O3S.
What is the molecular weight of (4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile?
The molecular weight of (4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile is 171.96912 g/mol.
Where can I buy (4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile?
You can request a quote for (4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile?
Yes, CoreyChem provides custom synthesis services for (4-Nitro(1,2,5-oxadiazol-3-yl))thiocarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.