AC1NCGN3
3-[(2-chloro-5-methylphenoxy)methyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: Oprea1_144921|NCGC00343008-01|AB01334900-02|5-[(2-chloro-5-methylphenoxy)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol|5-[(2-Chloro-5-methylphenoxy)methyl]-2,4-dihydro-4-[(tetrahydro-2-furanyl)methyl]-3H-1,2,4-triazole-3-thione|3-[(2-chloro-5-methylphenoxy)methyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione|5-[(2-chloro-5-methyl-phenoxy)methyl]-4-(oxolan-2-ylmethyl)-2H-1,2,4-triazole-3-thione|5-[(2-chloro-5-methylphenoxy)methyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazole-3-th iol
| Molecular Formula | C15H18ClN3O2S |
|---|---|
| Molecular Weight | 339.0808 g/mol |
| LogP | 3.66051 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.0808 |
| Monoisotopic Mass | 339.0808 |
| Heavy Atoms | 22 |
| Complexity | 707.0534 |
Chemical Identifiers
| CAS Number | 588692-14-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)Cl)OCC2=NNC(=S)N2CC3CCCO3 |
Product Overview
AC1NCGN3 (CAS 588692-14-2), with molecular formula C15H18ClN3O2S and molecular weight 339.0808 g/mol. IUPAC: 3-[(2-chloro-5-methylphenoxy)methyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione.
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