AC1LQI2C
(Z)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Also Known As: (2Z)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate|(Z)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid|(Z)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
| Molecular Formula | C15H16ClN3O4S |
|---|---|
| Molecular Weight | 369.055 g/mol |
| LogP | 3.39162 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.055 |
| Monoisotopic Mass | 369.055 |
| Heavy Atoms | 24 |
| Complexity | 776.0748 |
Chemical Identifiers
| CAS Number | 587012-69-9 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C(/C(=O)O)\SC2=NNC(=N2)C)Cl)OC |
Product Overview
AC1LQI2C (CAS 587012-69-9), with molecular formula C15H16ClN3O4S and molecular weight 369.055 g/mol. IUPAC: (Z)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid.
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