3-Benzyl-1,2,4-thiadiazol-5-amine
TL;DR: 3-Benzyl-1,2,4-thiadiazol-5-amine (CAS 17467-27-5) is a chemical compound with molecular formula C9H9N3S and molecular weight 191.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1,2,4-thiadiazol-5-amine
Also Known As: 3-Benzyl-1,2,4-thiadiazol-5-amine, 1,2,4-Thiadiazole, 5-amino-3-benzyl-, 1,2,4-Thiadiazol-5-amine, 3-(phenylmethyl)-, 3-Benzyl-[1,2,4]thiadiazol-5-ylamine, 3-Benzyl-1,2,4-thiadiazol-5-amine #
| Molecular Formula | C9H9N3S |
|---|---|
| Molecular Weight | 191.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05171 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 17467-27-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NSC(=N2)N |
| InChIKey | BDPJUFWVJYJIEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzyl-1,2,4-thiadiazol-5-amine (CAS 17467-27-5), with molecular formula C9H9N3S and molecular weight 191.05 g/mol. IUPAC: 3-benzyl-1,2,4-thiadiazol-5-amine.
Chemical Property Profile of 3-Benzyl-1,2,4-thiadiazol-5-amine
Property Insights of 3-Benzyl-1,2,4-thiadiazol-5-amine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-1,2,4-thiadiazol-5-amine. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-1,2,4-thiadiazol-5-amine. Following Lipinski's Rule of Five, 3-Benzyl-1,2,4-thiadiazol-5-amine 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-Benzyl-1,2,4-thiadiazol-5-amine?
The CAS number of 3-Benzyl-1,2,4-thiadiazol-5-amine is 17467-27-5.
What is the molecular formula of 3-Benzyl-1,2,4-thiadiazol-5-amine?
The molecular formula of 3-Benzyl-1,2,4-thiadiazol-5-amine is C9H9N3S.
What is the molecular weight of 3-Benzyl-1,2,4-thiadiazol-5-amine?
The molecular weight of 3-Benzyl-1,2,4-thiadiazol-5-amine is 191.05 g/mol.
Where can I buy 3-Benzyl-1,2,4-thiadiazol-5-amine?
You can request a quote for 3-Benzyl-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-Benzyl-1,2,4-thiadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-1,2,4-thiadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.