5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
TL;DR: 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL (CAS 613248-99-0) is a chemical compound with molecular formula C19H18N4OS and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 3-(3-methoxyphenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione, 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(3-methoxyphenyl)-1,2,4-t riazole-3-thiol, 5-(3-methoxyphenyl)-4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-4H-1,2,4-triazole-3-thiol, 5-(3-methoxyphenyl)-4-{[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C19H18N4OS |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 4.55369 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.12012 |
| Heavy Atoms | 25 |
| Complexity | 970.3441 |
Chemical Identifiers
| CAS Number | 613248-99-0 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)OC |
Product Overview
5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL (CAS 613248-99-0), with molecular formula C19H18N4OS and molecular weight 350.12 g/mol. IUPAC: 3-(3-methoxyphenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
Property Insights of 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
The XLogP value of 4.55369 indicates that 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-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 55.2 Ų, 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL 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 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL?
The CAS number of 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL is 613248-99-0.
What is the molecular formula of 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL?
The molecular formula of 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL is C19H18N4OS.
What is the molecular weight of 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL?
The molecular weight of 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL is 350.12 g/mol.
Where can I buy 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL?
You can request a quote for 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-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 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-METHOXY-PH)-4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.