3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine
TL;DR: 3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine (CAS 585553-19-1) is a chemical compound with molecular formula C15H20N4S and molecular weight 288.14087 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzylsulfanyl-5-cyclohexyl-1,2,4-triazol-4-amine
Also Known As: 3-benzylsulfanyl-5-cyclohexyl-1,2,4-triazol-4-amine, 3-cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine, 3-(benzylsulfanyl)-5-cyclohexyl-4H-1,2,4-triazol-4-amine, 3-(benzylthio)-5-cyclohexyl-4H-1,2,4-triazol-4-amine, 3-Benzylsulfanyl-5-cyclohexyl-[1,2,4]triazol-4-ylamine
Technical Specifications
| Molecular Formula | C15H20N4S |
| Molecular Weight | 288.14087 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 82.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.14087 Da |
| Heavy Atoms | 20 |
| Complexity | 290.0 |
| SMILES | C1CCC(CC1)C2=NN=C(N2N)SCC3=CC=CC=C3 |
| InChIKey | LCBOTHXQLDLJKO-UHFFFAOYSA-N |
Chemical Property Profile of 3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine
Property Insights of 3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine
The XLogP value of 3.7 indicates that 3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine 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
What is the CAS number of 3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine?
The CAS number of 3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine is 585553-19-1.
What is the molecular formula of 3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine?
The molecular formula of 3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine is C15H20N4S.
What is the molecular weight of 3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine?
The molecular weight of 3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine is 288.14087 g/mol.
Where can I buy 3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine?
You can request a quote for 3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine?
Yes, CoreyChem provides custom synthesis services for 3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.