2-((5-benzyl-4-(2-methylallyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
2-[[5-benzyl-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: Oprea1_360382|Oprea1_571053|BAS 00668820|AB00095315-01|AG-690/11665649|2-((5-benzyl-4-(2-methylallyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid|2-[4-(2-methylprop-2-enyl)-5-benzyl-1,2,4-triazol-3-ylthio]acetic acid|[5-Benzyl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid|{[5-benzyl-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid|{[5-benzyl-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid|2-[[5-benzyl-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
| Molecular Formula | C15H17N3O2S |
|---|---|
| Molecular Weight | 303.10416 g/mol |
| LogP | 2.6217 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 303.10416 |
| Monoisotopic Mass | 303.10416 |
| Heavy Atoms | 21 |
| Complexity | 637.6232 |
Chemical Identifiers
| CAS Number | 313250-95-2 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)O)CC2=CC=CC=C2 |
Product Overview
2-((5-benzyl-4-(2-methylallyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 313250-95-2), with molecular formula C15H17N3O2S and molecular weight 303.10416 g/mol. IUPAC: 2-[[5-benzyl-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
2-((5-benzyl-4-(2-methylallyl)-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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