![4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]- structure](/static/products/878/87866-45-3.png)
4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]-
TL;DR: 4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]- (CAS 87866-45-3) 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.
5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-amine
Also Known As: 4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]-, 5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-amine, 5-(Benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-amine
| Molecular Formula | C10H12N4S |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.6896 |
| 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 | 87866-45-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2)N |
Product Overview
4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]- (CAS 87866-45-3), with molecular formula C10H12N4S and molecular weight 220.08 g/mol. IUPAC: 5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-amine.
Chemical Property Profile of 4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]-
Property Insights of 4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]-
The XLogP value of 1.6896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]-. With a topological polar surface area (TPSA) of 56.73 Ų, 4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]- 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, 4-methyl-5-[(phenylmethyl)thio]-?
The CAS number of 4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]- is 87866-45-3.
What is the molecular formula of 4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]-?
The molecular formula of 4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]- is C10H12N4S.
What is the molecular weight of 4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]-?
The molecular weight of 4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]- is 220.08 g/mol.
Where can I buy 4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]-?
You can request a quote for 4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]- 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, 4-methyl-5-[(phenylmethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4-Triazol-3-amine, 4-methyl-5-[(phenylmethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.