![4-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide structure](/static/products/466/466656-40-6.png)
4-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide
TL;DR: 4-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 466656-40-6) is a chemical compound with molecular formula C8H7N5S and molecular weight 205.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide, AS-871/41471535, 4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione, F3098-1328, 4-[(E)-(pyridin-3-ylmethylidene)amino]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C8H7N5S |
|---|---|
| Molecular Weight | 205.04 g/mol |
| LogP | 1.21789 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.04222 |
| Heavy Atoms | 14 |
| Complexity | 483.68768 |
Chemical Identifiers
| CAS Number | 466656-40-6 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=N/N2C=NNC2=S |
Product Overview
4-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 466656-40-6), with molecular formula C8H7N5S and molecular weight 205.04 g/mol. IUPAC: 4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide
Property Insights of 4-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide
The XLogP value of 1.21789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide. With a topological polar surface area (TPSA) of 58.86 Ų, 4-[(3-pyridinylmethylene)amino]-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-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide 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
Frequently Asked Questions
What is the CAS number of 4-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide?
The CAS number of 4-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide is 466656-40-6.
What is the molecular formula of 4-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular formula of 4-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide is C8H7N5S.
What is the molecular weight of 4-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular weight of 4-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide is 205.04 g/mol.
Where can I buy 4-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide?
You can request a quote for 4-[(3-pyridinylmethylene)amino]-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-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-pyridinylmethylene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.