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5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine
TL;DR: 5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine (CAS 118159-54-9) is a chemical compound with molecular formula C8H8N4S2 and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
Also Known As: 5-[(pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine, 5-((Pyridin-2-ylmethyl)thio)-1,3,4-thiadiazol-2-amine, 5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine, BAS 00829440, 1,3,4-Thiadiazol-2-amine, 5-[(2-pyridinylmethyl)thio]-
| Molecular Formula | C8H8N4S2 |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.01904 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 118159-54-9 |
|---|---|
| SMILES | C1=CC=NC(=C1)CSC2=NN=C(S2)N |
| InChIKey | CDFFVSBBDVTTFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine (CAS 118159-54-9), with molecular formula C8H8N4S2 and molecular weight 224.02 g/mol. IUPAC: 5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine
Property Insights of 5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine. Following Lipinski's Rule of Five, 5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine has 1 hydrogen bond donor(s) and 6 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 5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine?
The CAS number of 5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine is 118159-54-9.
What is the molecular formula of 5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine?
The molecular formula of 5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine is C8H8N4S2.
What is the molecular weight of 5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine?
The molecular weight of 5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine is 224.02 g/mol.
Where can I buy 5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine?
You can request a quote for 5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Pyridin-2-ylmethyl)thio]-1,3,4-thiadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.