![Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate structure](/static/products/1263/126335-05-5.webp)
Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate
TL;DR: Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate (CAS 126335-05-5) is a chemical compound with molecular formula C6H8N4O2S and molecular weight 200.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate
Also Known As: 2-Propenoic acid,3-[(4-amino-4H-1,2,4-triazol-3-yl)thio]-, methyl ester, Methyl 3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-2-propenoate, 2-Propenoic acid, 3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-, methyl ester
| Molecular Formula | C6H8N4O2S |
|---|---|
| Molecular Weight | 200.04 g/mol |
| LogP | -0.2293 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.0368 |
| Heavy Atoms | 13 |
| Complexity | 322.1891 |
Chemical Identifiers
| CAS Number | 126335-05-5 |
|---|---|
| SMILES | COC(=O)C=CSC1=NN=CN1N |
Product Overview
Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate (CAS 126335-05-5), with molecular formula C6H8N4O2S and molecular weight 200.04 g/mol. IUPAC: methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate.
Chemical Property Profile of Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate
Property Insights of Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate
The XLogP value of -0.2293 indicates that Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate. Following Lipinski's Rule of Five, Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate has 1 hydrogen bond donor(s) and 6 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 Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate?
The CAS number of Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate is 126335-05-5.
What is the molecular formula of Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate?
The molecular formula of Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate is C6H8N4O2S.
What is the molecular weight of Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate?
The molecular weight of Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate is 200.04 g/mol.
Where can I buy Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate?
You can request a quote for Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.