4-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one
TL;DR: 4-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one (CAS 136794-23-5) is a chemical compound with molecular formula C5H7N3OS and molecular weight 157.03099 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-cyclopropyl-5-sulfanylidene-1,2,4-triazolidin-3-one
Also Known As: Maybridge4_001420, 4-cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one, IDI1_032002, 4-cyclopropyl-5-sulfanyl-4H-1,2,4-triazol-3-ol, 4-cyclopropyl-5-sulfanylidene-1,2,4-triazolidin-3-one
Technical Specifications
| Molecular Formula | C5H7N3OS |
| Molecular Weight | 157.03099 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 76.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.03099 Da |
| Heavy Atoms | 10 |
| Complexity | 201.0 |
| SMILES | C1CC1N2C(=O)NNC2=S |
| InChIKey | VOYLTNHAWCUHPY-UHFFFAOYSA-N |
Chemical Property Profile of 4-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one
Property Insights of 4-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one. Following Lipinski's Rule of Five, 4-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one has 2 hydrogen bond donor(s) and 2 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-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one?
The CAS number of 4-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one is 136794-23-5.
What is the molecular formula of 4-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one?
The molecular formula of 4-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one is C5H7N3OS.
What is the molecular weight of 4-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one?
The molecular weight of 4-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one is 157.03099 g/mol.
Where can I buy 4-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one?
You can request a quote for 4-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one?
Yes, CoreyChem provides custom synthesis services for 4-Cyclopropyl-5-thioxo-1,2,4-triazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.