4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide
TL;DR: 4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide (CAS 613248-18-3) is a chemical compound with molecular formula C22H15N5S and molecular weight 381.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-anthracen-9-ylmethylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-((9-ANTHRYLMETHYLENE)AMINO)-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE, (E)-4-((anthracen-9-ylmethylene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-((1E)-2-(9-anthryl)-1-azavinyl)-5-(2-pyridyl)-1,2,4-triazole-3-thiol, 4-((Anthracen-9-ylmethylene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-anthracen-9-ylmethylidene]amino}-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C22H15N5S |
|---|---|
| Molecular Weight | 381.10 g/mol |
| LogP | 5.19129 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.10483 |
| Heavy Atoms | 28 |
| Complexity | 1328.7755 |
Chemical Identifiers
| CAS Number | 613248-18-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/N4C(=NNC4=S)C5=CC=CC=N5 |
Product Overview
4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide (CAS 613248-18-3), with molecular formula C22H15N5S and molecular weight 381.10 g/mol. IUPAC: 4-[(E)-anthracen-9-ylmethylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide
Property Insights of 4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide
The XLogP value of 5.19129 indicates that 4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.86 Ų, 4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide?
The CAS number of 4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide is 613248-18-3.
What is the molecular formula of 4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular formula of 4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide is C22H15N5S.
What is the molecular weight of 4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular weight of 4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide is 381.10 g/mol.
Where can I buy 4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide?
You can request a quote for 4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-((9-Anthrylmethylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.