AC1LIR76
3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione|3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione|4-allyl-3-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1H-1,2,4-triazole-5(4H)-thione|5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C12H15N5S2 |
|---|---|
| Molecular Weight | 293.07687 g/mol |
| LogP | 2.82583 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.07687 |
| Monoisotopic Mass | 293.07687 |
| Heavy Atoms | 19 |
| Complexity | 623.5596 |
Chemical Identifiers
| CAS Number | 577990-42-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=NNC(=S)N2CC=C)C |
Product Overview
AC1LIR76 (CAS 577990-42-2), with molecular formula C12H15N5S2 and molecular weight 293.07687 g/mol. IUPAC: 3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
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