3-Amino-5-benzylthio-1,2,4-thiadiazole
TL;DR: 3-Amino-5-benzylthio-1,2,4-thiadiazole (CAS 60093-11-0) is a chemical compound with molecular formula C9H9N3S2 and molecular weight 223.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-1,2,4-thiadiazol-3-amine
Also Known As: 3-Amino-5-benzylthio-1,2,4-thiadiazole, 5-benzylsulfanyl-1,2,4-thiadiazol-3-amine, 5-(Benzylthio)-1,2,4-thiadiazol-3-amine, 5-(benzylsulfanyl)-1,2,4-thiadiazol-3-amine, 3-amino-5-benzylthio-(1,2,4)thiadiazole
| Molecular Formula | C9H9N3S2 |
|---|---|
| Molecular Weight | 223.02 g/mol |
| LogP | 2.4126 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.02379 |
| Heavy Atoms | 14 |
| Complexity | 399.44913 |
Chemical Identifiers
| CAS Number | 60093-11-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC(=NS2)N |
Product Overview
3-Amino-5-benzylthio-1,2,4-thiadiazole (CAS 60093-11-0), with molecular formula C9H9N3S2 and molecular weight 223.02 g/mol. IUPAC: 5-benzylsulfanyl-1,2,4-thiadiazol-3-amine.
Chemical Property Profile of 3-Amino-5-benzylthio-1,2,4-thiadiazole
Property Insights of 3-Amino-5-benzylthio-1,2,4-thiadiazole
The XLogP value of 2.4126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5-benzylthio-1,2,4-thiadiazole. With a topological polar surface area (TPSA) of 51.8 Ų, 3-Amino-5-benzylthio-1,2,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-5-benzylthio-1,2,4-thiadiazole 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-Amino-5-benzylthio-1,2,4-thiadiazole?
The CAS number of 3-Amino-5-benzylthio-1,2,4-thiadiazole is 60093-11-0.
What is the molecular formula of 3-Amino-5-benzylthio-1,2,4-thiadiazole?
The molecular formula of 3-Amino-5-benzylthio-1,2,4-thiadiazole is C9H9N3S2.
What is the molecular weight of 3-Amino-5-benzylthio-1,2,4-thiadiazole?
The molecular weight of 3-Amino-5-benzylthio-1,2,4-thiadiazole is 223.02 g/mol.
Where can I buy 3-Amino-5-benzylthio-1,2,4-thiadiazole?
You can request a quote for 3-Amino-5-benzylthio-1,2,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5-benzylthio-1,2,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5-benzylthio-1,2,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.