4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)-
TL;DR: 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)- (CAS 88722-36-5) is a chemical compound with molecular formula C10H12N4S and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine
Also Known As: 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)-, 4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine, 4-Benzyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-amine, 4-Benzyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylamine, InChI=1/C10H12N4S/c1-15-10-13-12-9(11)14(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12
| Molecular Formula | C10H12N4S |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.6305 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.07826 |
| Heavy Atoms | 15 |
| Complexity | 437.93796 |
Chemical Identifiers
| CAS Number | 88722-36-5 |
|---|---|
| SMILES | CSC1=NN=C(N1CC2=CC=CC=C2)N |
Product Overview
4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)- (CAS 88722-36-5), with molecular formula C10H12N4S and molecular weight 220.08 g/mol. IUPAC: 4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine.
Chemical Property Profile of 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)-
Property Insights of 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)-
The XLogP value of 1.6305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)-. With a topological polar surface area (TPSA) of 56.73 Ų, 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)- 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 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)-?
The CAS number of 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)- is 88722-36-5.
What is the molecular formula of 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)-?
The molecular formula of 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)- is C10H12N4S.
What is the molecular weight of 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)-?
The molecular weight of 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)- is 220.08 g/mol.
Where can I buy 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)-?
You can request a quote for 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4-Triazol-3-amine, 5-(methylthio)-4-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.