![4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/380/380472-85-5.png)
4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 380472-85-5) is a chemical compound with molecular formula C23H15ClN4S and molecular weight 414.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-anthracen-9-ylmethylideneamino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((anthracen-9-ylmethylene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-anthracen-9-ylmethylidene]amino}-5-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C23H15ClN4S |
|---|---|
| Molecular Weight | 414.07 g/mol |
| LogP | 6.44969 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.0706 |
| Heavy Atoms | 29 |
| Complexity | 1377.3057 |
Chemical Identifiers
| CAS Number | 380472-85-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/N4C(=NNC4=S)C5=CC=C(C=C5)Cl |
Product Overview
4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 380472-85-5), with molecular formula C23H15ClN4S and molecular weight 414.07 g/mol. IUPAC: 4-[(E)-anthracen-9-ylmethylideneamino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 6.44969 indicates that 4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, 4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol is 380472-85-5.
What is the molecular formula of 4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol is C23H15ClN4S.
What is the molecular weight of 4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol is 414.07 g/mol.
Where can I buy 4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-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-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(E)-9-anthrylmethylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.