Mls003170678
2-[[4-(2-methoxyphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-[[4-(2-methoxyphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid|2-[[4-(2-methoxyphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-tria|({4-(2-Methoxyphenyl)-5-[(naphthalen-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
CAS: 68614-64-2
| Molecular Formula | C22H19N3O3S |
|---|---|
| Molecular Weight | 405.11472 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.11472 |
| Monoisotopic Mass | 405.11472 |
| Heavy Atoms | 29 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 68614-64-2 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=NN=C2SCC(=O)O)CC3=CC=CC4=CC=CC=C43 |
| InChIKey | TUXOKLCAKSFZNZ-UHFFFAOYSA-N |
Product Overview
Mls003170678 (CAS 68614-64-2), with molecular formula C22H19N3O3S and molecular weight 405.11472 g/mol. IUPAC: 2-[[4-(2-methoxyphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 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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