![N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline structure](/static/products/3384/338406-68-1.webp)
N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline
TL;DR: N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline (CAS 338406-68-1) is a chemical compound with molecular formula C9H8ClN3S and molecular weight 225.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-chlorothiadiazol-4-yl)methyl]aniline
Also Known As: N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline, N-[(5-chlorothiadiazol-4-yl)methyl]aniline, 3F-961, 1,2,3-Thiadiazole-4-methanamine, 5-chloro-N-phenyl-
| Molecular Formula | C9H8ClN3S |
|---|---|
| Molecular Weight | 225.01 g/mol |
| LogP | 2.8036 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.01274 |
| Heavy Atoms | 14 |
| Complexity | 401.44913 |
Chemical Identifiers
| CAS Number | 338406-68-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCC2=C(SN=N2)Cl |
Product Overview
N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline (CAS 338406-68-1), with molecular formula C9H8ClN3S and molecular weight 225.01 g/mol. IUPAC: N-[(5-chlorothiadiazol-4-yl)methyl]aniline.
Chemical Property Profile of N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline
Property Insights of N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline
The XLogP value of 2.8036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline. With a topological polar surface area (TPSA) of 37.81 Ų, N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]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 N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline?
The CAS number of N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline is 338406-68-1.
What is the molecular formula of N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline?
The molecular formula of N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline is C9H8ClN3S.
What is the molecular weight of N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline?
The molecular weight of N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline is 225.01 g/mol.
Where can I buy N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline?
You can request a quote for N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.