3-(1,2,3-Thiadiazol-4-yl)aniline
TL;DR: 3-(1,2,3-Thiadiazol-4-yl)aniline (CAS 878437-57-1) is a chemical compound with molecular formula C8H7N3S and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(thiadiazol-4-yl)aniline
Also Known As: 3-(1,2,3-thiadiazol-4-yl)aniline, 3-(thiadiazol-4-yl)aniline, 3-[1,2,3]Thiadiazol-4-yl-phenylamine, ZERO/004662, 3-(1,2,3-thiadiazol-4-yl)phenylamine
| Molecular Formula | C8H7N3S |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 1.7873 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.03607 |
| Heavy Atoms | 12 |
| Complexity | 369.55182 |
Chemical Identifiers
| CAS Number | 878437-57-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N)C2=CSN=N2 |
Product Overview
3-(1,2,3-Thiadiazol-4-yl)aniline (CAS 878437-57-1), with molecular formula C8H7N3S and molecular weight 177.04 g/mol. IUPAC: 3-(thiadiazol-4-yl)aniline.
Chemical Property Profile of 3-(1,2,3-Thiadiazol-4-yl)aniline
Property Insights of 3-(1,2,3-Thiadiazol-4-yl)aniline
The XLogP value of 1.7873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,2,3-Thiadiazol-4-yl)aniline. With a topological polar surface area (TPSA) of 51.8 Ų, 3-(1,2,3-Thiadiazol-4-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(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
Frequently Asked Questions
What is the CAS number of 3-(1,2,3-Thiadiazol-4-yl)aniline?
The CAS number of 3-(1,2,3-Thiadiazol-4-yl)aniline is 878437-57-1.
What is the molecular formula of 3-(1,2,3-Thiadiazol-4-yl)aniline?
The molecular formula of 3-(1,2,3-Thiadiazol-4-yl)aniline is C8H7N3S.
What is the molecular weight of 3-(1,2,3-Thiadiazol-4-yl)aniline?
The molecular weight of 3-(1,2,3-Thiadiazol-4-yl)aniline is 177.04 g/mol.
Where can I buy 3-(1,2,3-Thiadiazol-4-yl)aniline?
You can request a quote for 3-(1,2,3-Thiadiazol-4-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,2,3-Thiadiazol-4-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,2,3-Thiadiazol-4-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.