4-(1,2,3-Thiadiazol-4-yl)aniline
TL;DR: 4-(1,2,3-Thiadiazol-4-yl)aniline (CAS 121180-51-6) is a chemical compound with molecular formula C8H7N3S and molecular weight 177.03607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(thiadiazol-4-yl)aniline
Also Known As: 4-(1,2,3-thiadiazol-4-yl)aniline, 4-(thiadiazol-4-yl)aniline, Maybridge3_006025, 4-[1,2,3]Thiadiazol-4-yl-phenylamine, SDCCGMLS-0066238.P001
Technical Specifications
| Molecular Formula | C8H7N3S |
| Molecular Weight | 177.03607 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.03607 Da |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
| SMILES | C1=CC(=CC=C1C2=CSN=N2)N |
| InChIKey | QDRVSMARQRMSOU-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1,2,3-Thiadiazol-4-yl)aniline
Property Insights of 4-(1,2,3-Thiadiazol-4-yl)aniline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,2,3-Thiadiazol-4-yl)aniline. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,2,3-Thiadiazol-4-yl)aniline. Following Lipinski's Rule of Five, 4-(1,2,3-Thiadiazol-4-yl)aniline has 1 hydrogen bond donor(s) and 4 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-(1,2,3-Thiadiazol-4-yl)aniline?
The CAS number of 4-(1,2,3-Thiadiazol-4-yl)aniline is 121180-51-6.
What is the molecular formula of 4-(1,2,3-Thiadiazol-4-yl)aniline?
The molecular formula of 4-(1,2,3-Thiadiazol-4-yl)aniline is C8H7N3S.
What is the molecular weight of 4-(1,2,3-Thiadiazol-4-yl)aniline?
The molecular weight of 4-(1,2,3-Thiadiazol-4-yl)aniline is 177.03607 g/mol.
Where can I buy 4-(1,2,3-Thiadiazol-4-yl)aniline?
You can request a quote for 4-(1,2,3-Thiadiazol-4-yl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1,2,3-Thiadiazol-4-yl)aniline?
Yes, CoreyChem provides custom synthesis services for 4-(1,2,3-Thiadiazol-4-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.