![3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine structure](/static/products/4474/447414-55-3.webp)
3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine
TL;DR: 3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine (CAS 447414-55-3) is a chemical compound with molecular formula C9H8ClN3S2 and molecular weight 256.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-amine
Also Known As: 3-[(2-chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine, 3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-amine, 3-((2-Chlorobenzyl)thio)-1,2,4-thiadiazol-5-amine, 3-[(2-chlorobenzyl)sulfanyl]-1,2,4-thiadiazol-5-amine, 3-(2-Chlorobenzyl)thio-1,2,4-thiadiazol-5-amine
| Molecular Formula | C9H8ClN3S2 |
|---|---|
| Molecular Weight | 256.98 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.9848 |
| Heavy Atoms | 15 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 447414-55-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NSC(=N2)N)Cl |
| InChIKey | YAMYRJAFKHIKNT-UHFFFAOYSA-N |
Product Overview
3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine (CAS 447414-55-3), with molecular formula C9H8ClN3S2 and molecular weight 256.98 g/mol. IUPAC: 3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-thiadiazol-5-amine.
Chemical Property Profile of 3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine
Property Insights of 3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine
The XLogP value of 3.4 indicates that 3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine. Following Lipinski's Rule of Five, 3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine has 1 hydrogen bond donor(s) and 5 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-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine?
The CAS number of 3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine is 447414-55-3.
What is the molecular formula of 3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine?
The molecular formula of 3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine is C9H8ClN3S2.
What is the molecular weight of 3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine?
The molecular weight of 3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine is 256.98 g/mol.
Where can I buy 3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine?
You can request a quote for 3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Chlorobenzyl)thio]-1,2,4-thiadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.