![(2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate structure](/static/products/577/577768-82-2.png)
(2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate
TL;DR: (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate (CAS 577768-82-2) is a chemical compound with molecular formula C10H9N3O2S2 and molecular weight 267.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoic acid
Also Known As: (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate, (2E)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoic acid, (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(thiophen-2-yl)acrylic acid, (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoic acid, 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-prop-2-enoic Acid
| Molecular Formula | C10H9N3O2S2 |
|---|---|
| Molecular Weight | 267.01 g/mol |
| LogP | 2.39242 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.0136 |
| Heavy Atoms | 17 |
| Complexity | 545.6618 |
Chemical Identifiers
| CAS Number | 577768-82-2 |
|---|---|
| SMILES | CC1=NC(=NN1)S/C(=C/C2=CC=CS2)/C(=O)O |
Product Overview
(2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate (CAS 577768-82-2), with molecular formula C10H9N3O2S2 and molecular weight 267.01 g/mol. IUPAC: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoic acid.
Chemical Property Profile of (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate
Property Insights of (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate
The XLogP value of 2.39242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate. Following Lipinski's Rule of Five, (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate has 2 hydrogen bond donor(s) and 5 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 (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate?
The CAS number of (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate is 577768-82-2.
What is the molecular formula of (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate?
The molecular formula of (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate is C10H9N3O2S2.
What is the molecular weight of (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate?
The molecular weight of (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate is 267.01 g/mol.
Where can I buy (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate?
You can request a quote for (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)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 (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.