4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol (CAS 330448-86-7) is a chemical compound with molecular formula C14H14N6S and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-3-(2-phenylhydrazinyl)-1H-1,2,4-triazole-5-thione
Also Known As: BAS 00432043, NCI60_038062, BIM-0021260.P001, 4-anilino-3-(2-phenylhydrazinyl)-1H-1,2,4-triazole-5-thione, 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C14H14N6S |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 3.25489 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.10007 |
| Heavy Atoms | 21 |
| Complexity | 749.8952 |
Chemical Identifiers
| CAS Number | 330448-86-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NNC2=NNC(=S)N2NC3=CC=CC=C3 |
Product Overview
4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol (CAS 330448-86-7), with molecular formula C14H14N6S and molecular weight 298.10 g/mol. IUPAC: 4-anilino-3-(2-phenylhydrazinyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.25489 indicates that 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol has 4 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 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol is 330448-86-7.
What is the molecular formula of 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol is C14H14N6S.
What is the molecular weight of 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol is 298.10 g/mol.
Where can I buy 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(phenylamino)-5-(2-phenylhydrazinyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.