![3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine structure](/static/products/1181/118158-94-4.webp)
3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine
TL;DR: 3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine (CAS 118158-94-4) is a chemical compound with molecular formula C13H12N4S2 and molecular weight 288.05035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzylsulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine
Also Known As: 3-(benzylsulfanyl)-5-(2-thienyl)-4H-1,2,4-triazol-4-amine, 12P-393S, 3-benzylsulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine, 3-(benzylsulfanyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine, 3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine
Technical Specifications
| Molecular Formula | C13H12N4S2 |
| Molecular Weight | 288.05035 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.05035 Da |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CS3 |
| InChIKey | NBZFEWLUSUDAIH-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine
Property Insights of 3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-[(Phenylmethyl)thio]-5-(2-thienyl)-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
What is the CAS number of 3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine is 118158-94-4.
What is the molecular formula of 3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine is C13H12N4S2.
What is the molecular weight of 3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine is 288.05035 g/mol.
Where can I buy 3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-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-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine?
Yes, CoreyChem provides custom synthesis services for 3-[(Phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.