![3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine structure](/static/products/215/21532-05-8.png)
3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine
TL;DR: 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine (CAS 21532-05-8) is a chemical compound with molecular formula C16H16N4S2 and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(benzylsulfanyl)-1,2,4-triazol-4-amine
Also Known As: 3,5-bis(benzylsulfanyl)-1,2,4-triazol-4-amine, 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine, 3,5-Bis(benzylsulfanyl)-4H-1,2,4-triazol-4-amine
| Molecular Formula | C16H16N4S2 |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | 3.5765 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.08163 |
| Heavy Atoms | 22 |
| Complexity | 652.52545 |
Chemical Identifiers
| CAS Number | 21532-05-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(N2N)SCC3=CC=CC=C3 |
Product Overview
3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine (CAS 21532-05-8), with molecular formula C16H16N4S2 and molecular weight 328.08 g/mol. IUPAC: 3,5-bis(benzylsulfanyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine
Property Insights of 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine
The XLogP value of 3.5765 indicates that 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-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 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine?
The CAS number of 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine is 21532-05-8.
What is the molecular formula of 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine?
The molecular formula of 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine is C16H16N4S2.
What is the molecular weight of 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine?
The molecular weight of 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine is 328.08 g/mol.
Where can I buy 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine?
You can request a quote for 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis[(phenylmethyl)thio]-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.