AC1LIR8X
(Z)-3-(3-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Also Known As: (Z)-3-(3-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid|(Z)-3-(3-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid|3-(3-ethoxy-4-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic Acid
CAS: 577997-48-9
| Molecular Formula | C15H17N3O4S |
|---|---|
| Molecular Weight | 335.09396 g/mol |
| LogP | 2.73822 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.09396 |
| Monoisotopic Mass | 335.09396 |
| Heavy Atoms | 23 |
| Complexity | 727.2621 |
Chemical Identifiers
| CAS Number | 577997-48-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(/C(=O)O)\SC2=NNC(=N2)C)OC |
Product Overview
AC1LIR8X (CAS 577997-48-9), with molecular formula C15H17N3O4S and molecular weight 335.09396 g/mol. IUPAC: (Z)-3-(3-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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