![Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI) structure](/static/products/4497/449747-35-7.webp)
Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI)
TL;DR: Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI) (CAS 449747-35-7) is a chemical compound with molecular formula C8H13N3O2S and molecular weight 215.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: CBKinase1_001588, CBKinase1_013988, BAS 03014581, BRD-K25980742-001-01-0, Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI)
| Molecular Formula | C8H13N3O2S |
|---|---|
| Molecular Weight | 215.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 215.07285 |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 449747-35-7 |
|---|---|
| SMILES | CCC1=NC(=NN1)SCC(=O)OCC |
| InChIKey | BZOZGJQCWOWAFO-UHFFFAOYSA-N |
Product Overview
Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI) (CAS 449747-35-7), with molecular formula C8H13N3O2S and molecular weight 215.07 g/mol. IUPAC: ethyl 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI)
Property Insights of Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI). The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI). Following Lipinski's Rule of Five, Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI) has 1 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 Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI)?
The CAS number of Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI) is 449747-35-7.
What is the molecular formula of Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI)?
The molecular formula of Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI) is C8H13N3O2S.
What is the molecular weight of Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI)?
The molecular weight of Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI) is 215.07 g/mol.
Where can I buy Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI)?
You can request a quote for Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, [(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-, ethyl ester (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.