2-((4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic Acid|2-((4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
CAS: 738604-72-3
| Molecular Formula | C12H14N4O4S |
|---|---|
| Molecular Weight | 310.07358 g/mol |
| LogP | 0.8528 |
| Topological Polar Surface Area | 112.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.07358 |
| Monoisotopic Mass | 310.07358 |
| Heavy Atoms | 21 |
| Complexity | 658.70215 |
Chemical Identifiers
| CAS Number | 738604-72-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)O)OC |
Product Overview
2-((4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 738604-72-3), with molecular formula C12H14N4O4S and molecular weight 310.07358 g/mol. IUPAC: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-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.
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2-((4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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