2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one
TL;DR: 2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one (CAS 119550-14-0) is a chemical compound with molecular formula C9H7ClN2OS and molecular weight 225.99677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzyl-5-chloro-1,2,4-thiadiazol-3-one
Also Known As: 2-benzyl-5-chloro-1,2,4-thiadiazol-3-one, 2-Benzyl-5-chloro-1,2,4-thiadiazol-3(2H)-one, 2-Benzyl-5-chloro-[1,2,4]thiadiazol-3-one, 2-benzyl-5-chloro-2,3-dihydro-1,2,4-thiadiazol-3-one
Technical Specifications
| Molecular Formula | C9H7ClN2OS |
| Molecular Weight | 225.99677 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.99677 Da |
| Heavy Atoms | 14 |
| Complexity | 264.0 |
| SMILES | C1=CC=C(C=C1)CN2C(=O)N=C(S2)Cl |
| InChIKey | XHMVWNWGZNIFIX-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one
Property Insights of 2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one. With a topological polar surface area (TPSA) of 58.0 Ų, 2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one has 0 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 2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one?
The CAS number of 2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one is 119550-14-0.
What is the molecular formula of 2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one?
The molecular formula of 2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one is C9H7ClN2OS.
What is the molecular weight of 2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one?
The molecular weight of 2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one is 225.99677 g/mol.
Where can I buy 2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one?
You can request a quote for 2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one?
Yes, CoreyChem provides custom synthesis services for 2-Benzyl-5-chloro-1,2,4-thiadiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.