AC1MZ0TX
3-(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol|5-(5-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol|AB00724430-01|3-(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione|5-(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-2H-1,2,4-triazole-3-thione|3-(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H17N3S2 |
|---|---|
| Molecular Weight | 279.0864 g/mol |
| LogP | 3.72109 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.0864 |
| Monoisotopic Mass | 279.0864 |
| Heavy Atoms | 18 |
| Complexity | 620.46014 |
Chemical Identifiers
| CAS Number | 790232-36-9 |
|---|---|
| SMILES | CCC1CCC2=C(C1)C=C(S2)C3=NNC(=S)N3C |
Product Overview
AC1MZ0TX (CAS 790232-36-9), with molecular formula C13H17N3S2 and molecular weight 279.0864 g/mol. IUPAC: 3-(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione.
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