Dimethyl 1-(4-methylphenyl)sulfonyltriazole-4,5-dicarboxylate
dimethyl 1-(4-methylphenyl)sulfonyltriazole-4,5-dicarboxylate
Also Known As: dimethyl 1-(4-methylphenyl)sulfonyltriazole-4,5-dicarboxylate|Dimethyl 1-(4-methylbenzene-1-sulfonyl)-1H-1,2,3-triazole-4,5-dicarboxylate
CAS: 4953-04-2
| Molecular Formula | C13H13N3O6S |
|---|---|
| Molecular Weight | 339.05252 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.05252 |
| Monoisotopic Mass | 339.05252 |
| Heavy Atoms | 23 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 4953-04-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(N=N2)C(=O)OC)C(=O)OC |
| InChIKey | YDAAJCVVQNTCCM-UHFFFAOYSA-N |
Product Overview
Dimethyl 1-(4-methylphenyl)sulfonyltriazole-4,5-dicarboxylate (CAS 4953-04-2), with molecular formula C13H13N3O6S and molecular weight 339.05252 g/mol. IUPAC: dimethyl 1-(4-methylphenyl)sulfonyltriazole-4,5-dicarboxylate.
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.
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