4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
4-amino-3-[(3,4-dimethylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol|4-amino-3-[(3,4-dimethylphenoxy)methyl]-1H-1,2,4-triazole-5-thione|4-Amino-5-((3,4-dimethylphenoxy)methyl)-4H-1,2,4-triazole-3-thiol|SR-01000118450-1|4H-1,2,4-triazole-3-thiol, 4-amino-5-[(3,4-dimethylphenoxy)methyl]-|4-Amino-5-(3,4-dimethylphenoxy)methyl-4H-1,2,4-triazole-3-thiol|4-amino-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-triazole-3-thiol|4-amino-5-[(3,4-dimethylphenoxy)methyl]-2H-1,2,4-triazole-3-thione|4-azanyl-3-[(3,4-dimethylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C11H14N4OS |
|---|---|
| Molecular Weight | 250.08884 g/mol |
| LogP | 1.85033 |
| Topological Polar Surface Area | 68.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.08884 |
| Monoisotopic Mass | 250.08884 |
| Heavy Atoms | 17 |
| Complexity | 587.39764 |
Chemical Identifiers
| CAS Number | 301-80-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC2=NNC(=S)N2N)C |
Product Overview
4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol (CAS 301-80-4), with molecular formula C11H14N4OS and molecular weight 250.08884 g/mol. IUPAC: 4-amino-3-[(3,4-dimethylphenoxy)methyl]-1H-1,2,4-triazole-5-thione.